2-(1-oxidanyl-4-oxidanylidene-cyclohexyl)ethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate

Systemtic Name: 2-(1-oxidanyl-4-oxidanylidene-cyclohexyl)ethyl (E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoate Openeye Name: 2-(1-hydroxy-4-oxo-cyclohexyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-(1-hydroxy-4-oxocyclohexyl)ethyl ester IUPAC Name: 2-(1-hydroxy-4-oxocyclohexyl)ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-dihydroxyphenyl)acrylic acid 2-(1-hydroxy-4-keto-cyclohexyl)ethyl ester Formula: C17H20O6 MolecularWeight: 320.3371

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1=O)(CCOC(=O)C=CC2=CC(=C(C=C2)O)O)O

Isomeric SMILES

C1CC(CCC1=O)(CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O)O

InChI

InChI=1S/C17H20O6/c18-13-5-7-17(22,8-6-13)9-10-23-16(21)4-2-12-1-3-14(19)15(20)11-12/h1-4,11,19-20,22H,5-10H2/b4-2+