methyl 3-[5-cyclohexylsulfanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[5-cyclohexylsulfanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Openeye Name: methyl 3-(5-cyclohexylsulfanyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)sulfanylpropanoate CAS Name: 3-[[5-(cyclohexylthio)-3,6-dioxo-1-cyclohexa-1,4-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-cyclohexylsulfanyl-3,6-dioxocyclohexa-1,4-dien-1-yl)sulfanylpropanoate Traditional Name: 3-[[5-(cyclohexylthio)-3,6-diketo-cyclohexa-1,4-dien-1-yl]thio]propionic acid methyl ester Formula: C16H20O4S2 MolecularWeight: 340.4576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC(=O)C=C(C1=O)SC2CCCCC2

Isomeric SMILES

COC(=O)CCSC1=CC(=O)C=C(C1=O)SC2CCCCC2

InChI

InChI=1S/C16H20O4S2/c1-20-15(18)7-8-21-13-9-11(17)10-14(16(13)19)22-12-5-3-2-4-6-12/h9-10,12H,2-8H2,1H3