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

Systemtic Name: methyl 3-[5-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]sulfanylpropanoate Openeye Name: methyl 3-[5-(3-methoxy-3-oxo-propyl)sulfanyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]sulfanylpropanoate CAS Name: 3-[[5-[(3-methoxy-3-oxopropyl)thio]-3,6-dioxo-1-cyclohexa-1,4-dienyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[5-(3-methoxy-3-oxopropyl)sulfanyl-3,6-dioxocyclohexa-1,4-dien-1-yl]sulfanylpropanoate Traditional Name: 3-[[3,6-diketo-5-[(3-keto-3-methoxy-propyl)thio]cyclohexa-1,4-dien-1-yl]thio]propionic acid methyl ester Formula: C14H16O6S2 MolecularWeight: 344.40324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=CC(=O)C=C(C1=O)SCCC(=O)OC

Isomeric SMILES

COC(=O)CCSC1=CC(=O)C=C(C1=O)SCCC(=O)OC

InChI

InChI=1S/C14H16O6S2/c1-19-12(16)3-5-21-10-7-9(15)8-11(14(10)18)22-6-4-13(17)20-2/h7-8H,3-6H2,1-2H3