ethyl (3E,5Z)-6-[3,4-bis(oxidanyl)phenyl]-5-methylsulfanyl-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate

Systemtic Name: ethyl (3E,5Z)-6-[3,4-bis(oxidanyl)phenyl]-5-methylsulfanyl-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoate Openeye Name: ethyl (3E,5Z)-6-(3,4-dihydroxyphenyl)-6-hydroxy-5-methylsulfanyl-2-oxo-hexa-3,5-dienoate CAS Name: (3E,5Z)-6-(3,4-dihydroxyphenyl)-6-hydroxy-5-(methylthio)-2-oxohexa-3,5-dienoic acid ethyl ester IUPAC Name: ethyl (3E,5Z)-6-(3,4-dihydroxyphenyl)-6-hydroxy-5-methylsulfanyl-2-oxohexa-3,5-dienoate Traditional Name: (3E,5Z)-6-(3,4-dihydroxyphenyl)-6-hydroxy-2-keto-5-(methylthio)hexa-3,5-dienoic acid ethyl ester Formula: C15H16O6S MolecularWeight: 324.34894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C=CC(=C(C1=CC(=C(C=C1)O)O)O)SC

Isomeric SMILES

CCOC(=O)C(=O)/C=C/C(=C(\C1=CC(=C(C=C1)O)O)/O)/SC

InChI

InChI=1S/C15H16O6S/c1-3-21-15(20)11(17)6-7-13(22-2)14(19)9-4-5-10(16)12(18)8-9/h4-8,16,18-19H,3H2,1-2H3/b7-6+,14-13-