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3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl 3-sulfanylbutanoate

fo-33f66e9032e4bfd6

Identity

Type
Neutral molecule
CAS
31775-89-0
EC
700-255-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl 3-sulfanylbutanoate

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VTLHIRNKQSFSJS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H36O8S4/c1-13(30)5-17(22)26-9-21(10-27-18(23)6-14(2)31,11-28-19(24)7-15(3)32)12-29-20(25)8-16(4)33/h13-16,30-33H,5-12H2,1-4H3
IUPAC name chemrof:IUPAC_name 3-[(3-sulfanylbutanoyl)oxy]-2,2-bis{[(3-sulfanylbutanoyl)oxy]methyl}propyl 3-sulfanylbutanoate
Molecular formula chemrof:molecular_formula C21H36O8S4
Molecular mass chemrof:molecular_mass 544.779
Monoisotopic mass chemrof:monoisotopic_mass 544.129302
SMILES string chemrof:smiles_string CC(S)CC(=O)OCC(COC(=O)CC(C)S)(COC(=O)CC(C)S)COC(=O)CC(C)S

Known URLs

6

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=31775-89-0 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.148.873 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID701021096 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.389.558G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/54576326 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126612500 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
6d836201-230a-4372-9077-9892f35f2b38 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d2453ef3-4118-430c-8b1e-047caf943e62 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
c3172d41-5a3a-42e5-9af9-d0eeb2add6d4 Environmental → Air → Indoor EF 3.1 kg 2
b235dbf1-7057-4edf-a326-627673a9cd0e Environmental → Air → Long-term EF 3.1 kg 0
7063f2a1-4a1e-47dc-bc4f-9612b6f4f338 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
9a90a00f-b80a-4110-b5e2-59fdf5464a02 Environmental → Air → Unknown EF 3.1 kg 2
8d1703bd-52cd-4f86-a60c-3efde5f391ce Environmental → Ground → Agricultural EF 3.1 kg 2
7e1d1ca8-9e33-4029-afb6-cbbc8b2e58bd Environmental → Ground → Non-agricultural EF 3.1 kg 2
a3ad230f-7294-4c05-837d-280599249acc Environmental → Ground → Unknown EF 3.1 kg 2
0b6c0f96-0a80-40d8-bdea-482ced55ded1 Environmental → Water → Long-term EF 3.1 kg 0
bce6c587-8e47-41cc-95a2-a55e564c640b Environmental → Water → Ocean EF 3.1 kg 2
3d666f5e-e9a2-4043-b136-af746da5699c Environmental → Water → Surface water EF 3.1 kg 2
57d692a9-c274-41f2-85c7-e349e755dc41 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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}

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You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works

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