3-[4-(2-carboxyethylsulfanyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(2-carboxyethylsulfanyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoic acid Openeye Name: 3-[4-(2-carboxyethylsulfanyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl]sulfanylpropanoic acid CAS Name: 3-[[4-(2-carboxyethylthio)-3,6-dioxo-1-cyclohexa-1,4-dienyl]thio]propanoic acid IUPAC Name: 3-[4-(2-carboxyethylsulfanyl)-3,6-dioxocyclohexa-1,4-dien-1-yl]sulfanylpropanoic acid Traditional Name: 3-[[4-(2-carboxyethylthio)-3,6-diketo-cyclohexa-1,4-dien-1-yl]thio]propionic acid Formula: C12H12O6S2 MolecularWeight: 316.35008

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)C=C(C1=O)SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=C(C(=O)C=C(C1=O)SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C12H12O6S2/c13-7-6-10(20-4-2-12(17)18)8(14)5-9(7)19-3-1-11(15)16/h5-6H,1-4H2,(H,15,16)(H,17,18)