Kieserite

Flow Object ID fo-4c501e378290c372

Type Consensus

prefLabel

Label	Language
`Kieserite`	en

Alt Labels

Label	Language	Provenance
`Kieserite (Mg(SO<sub>4</sub>).H<sub>2</sub>O)`	en	—
`Wathlingite`	en	—

CAS Numbers 14567-64-7

Changes Applied 2

Properties

Predicate	Value
InChIKey	`KGMNHOOXYBNYQT-UHFFFAOYSA-N, LFCFXZHKDRJMNS-UHFFFAOYSA-L, LFCFXZHKDRJMNS-UHFFFAOYSA-N`
InChI	`InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2, InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;, InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2`
IUPAC name	`magnesium;sulfate;hydrate, magnesium;sulfuric acid;hydrate`
Molecular formula	`H2MgO5S, H4MgO5S, H4MgO5S+2`
SMILES	`O.OS(=O)(=O)O.[Mg+2], O.OS(=O)(=O)O.[Mg], O.[O-]S(=O)(=O)[O-].[Mg+2]`

References

Linked Elementary Flows

UUID	Source	Unit	Context	LCIA Factors	Consensus Changes
`fe0acd60…`	EF 3.1	kg	Environmental → Ground → Unknown	0	2

▶

Changes Applied

Elementary Flow	Field	Old Value	New Value	Comment
`fe0acd60…`	`altLabel`	`—`	[{"@value":"Kieserite (Mg(SO<sub>4</sub>).H<sub>2</sub>O)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:14567-64-7","https://commonchemistry.cas.org/detail?cas_rn=14567-64-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}},{"@value":"Wathlingite","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"consensus-flow-list","prov:hadPrimarySource":["CAS:14567-64-7","https://commonchemistry.cas.org/detail?cas_rn=14567-64-7"],"prov:wasDerivedFrom":"common chemistry CAS lookup"}}]	group_key=kieserite\|\|dimension=Environmental > media=Ground > geography=Unknown; cas=14567-64-7; added Common Chemistry CAS names as altLabel: Kieserite (Mg(SO<sub>4</sub>).H<sub>2</sub>O), Wathlingite; object_uuid=fo-4c501e378290c372
`fe0acd60…`	`cas_match_labels`	`—`	`{"14567-64-7":"exactMatch"}`	group_key=kieserite\|\|dimension=Environmental > media=Ground > geography=Unknown; group_sources=['pubchem']; cas_sources={'14567-64-7': ['pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-4c501e378290c372: {'14567-64-7': 'exactMatch'}

Flow Object JSON

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  ],
  "altLabel": [
    {
      "@value": "Kieserite (Mg(SO<sub>4</sub>).H<sub>2</sub>O)",
      "@language": "en",
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        "prov:wasDerivedFrom": "altLabel"
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  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "H2MgO5S",
        "H4MgO5S",
        "H4MgO5S+2"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "KGMNHOOXYBNYQT-UHFFFAOYSA-N",
        "LFCFXZHKDRJMNS-UHFFFAOYSA-L",
        "LFCFXZHKDRJMNS-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "O.OS(=O)(=O)O.[Mg+2]",
        "O.OS(=O)(=O)O.[Mg]",
        "O.[O-]S(=O)(=O)[O-].[Mg+2]"
      ],
      "rdfs:label": "SMILES",
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "@value": [
        "InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2",
        "InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;",
        "InChI=1S/Mg.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+2;;/p-2"
      ],
      "rdfs:label": "InChI",
      "provenance": {
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        "prov:wasDerivedFrom": "pubchem.props.InChI"
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "magnesium;sulfate;hydrate",
        "magnesium;sulfuric acid;hydrate"
      ],
      "rdfs:label": "IUPAC name",
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        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
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  },
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