Propanedioic Acid, 1,3-dithiolan-2-ylidene-, Bis

1,3-Bis(1-methylethyl) 2-(1-oxido-1,3-dithiolan-2-ylidene)propanedioate
2-(Diisopropoxycarbonyl)methylidene-1,3-dithiolan-1-oxide
2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate
bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate 5-oxide
di(propan-2-yl) (1-oxo-1lambda(4),3-dithiolan-2-ylidene)propanedioate
diisopropyl (1-oxido-1,3-dithiolan-2-ylidene)malonate
Isoprothiolane sulfoxide
Propanedioic acid, (1-oxido-1,3-dithiolan-2-ylidene)-, bis(1-methylethyl) ester
Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, 5-oxide
Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester, S-oxide
Propanedioic acid, 2-(1-oxido-1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	ZFQQZUBSEINSSR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H18O5S2/c1-7(2)16-10(13)9(11(14)17-8(3)4)12-18-5-6-19(12)15/h7-8H,5-6H2,1-4H3
IUPAC name chemrof:IUPAC_name	2-[1,3-dioxo-1,3-bis(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-1-ium-1-olate
Molecular formula chemrof:molecular_formula	C12H18O5S2
Molecular mass chemrof:molecular_mass	306.405
Monoisotopic mass chemrof:monoisotopic_mass	306.059566, 306.05957
SMILES string chemrof:smiles_string	CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCC[S+]1[O-]

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
beilstein	beilstein:4321780	enrich_references.chebi_xrefs
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=52303-69-2	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:6048	enrich_references.chebi_id_link
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID80897278	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J532.823C	enrich_references.pubchem_identifier_url
KEGG	https://www.genome.jp/entry/C11112	enrich_references.chebi_xrefs
kegg.jp	https://www.kegg.jp/entry/C11112	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=53237	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/93275	enrich_references.pubchem_compound
Wikidata	https://www.wikidata.org/wiki/Q27107004	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
bdb094f2-31da-480b-b4dc-e4602c6887e2	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
f8aa37d3-9179-4dad-a2d2-fbd89b470e7f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
e804b2d6-98ca-46d7-896b-a88b2cf6d313	Environmental → Air → Indoor	EF 3.1	kg	2
698c52a7-764b-4af7-a9be-49440590dd70	Environmental → Air → Long-term	EF 3.1	kg	0
2a4c7650-18e3-4847-8497-6be275f6eb10	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
6bd5d65d-99fd-437f-90b7-75b5b8b8f002	Environmental → Air → Unknown	EF 3.1	kg	2
248c6ce8-4448-486a-a9a8-bae58c0b3681	Environmental → Ground → Agricultural	EF 3.1	kg	2
deb7f626-45a9-4475-9d96-8fe6e25e1593	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
6f96c49b-1b1d-4bcd-b180-f6d16667ca18	Environmental → Ground → Unknown	EF 3.1	kg	2
0a908491-61cf-4ba1-89af-55d3fc8715fb	Environmental → Water → Long-term	EF 3.1	kg	0
b72ecd80-ddee-4af3-a0e9-1a3e35efc985	Environmental → Water → Ocean	EF 3.1	kg	2
33b71101-0ba1-4971-a101-00ffe0900b91	Environmental → Water → Surface water	EF 3.1	kg	2
69f5bfa2-ec84-4c57-bd33-787218d746b1	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

Open the changes page

Flow object JSON

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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

Propanedioic Acid, 1,3-dithiolan-2-ylidene-, Bis

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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