[(E)-3-(4-hydroxyphenyl)prop-2-enoyl] 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate

Systemtic Name: [(E)-3-(4-hydroxyphenyl)prop-2-enoyl] 3,4,5-tris(oxidanyl)cyclohexene-1-carboxylate Openeye Name: [(E)-3-(4-hydroxyphenyl)prop-2-enoyl] 3,4,5-trihydroxycyclohexene-1-carboxylate CAS Name: 3,4,5-trihydroxy-1-cyclohexenecarboxylic acid [(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl] ester IUPAC Name: [(E)-3-(4-hydroxyphenyl)prop-2-enoyl] 3,4,5-trihydroxycyclohexene-1-carboxylate Traditional Name: 3,4,5-trihydroxycyclohexene-1-carboxylic acid [(E)-3-(4-hydroxyphenyl)acryloyl] ester Formula: C16H16O7 MolecularWeight: 320.29404

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C=C1C(=O)OC(=O)C=CC2=CC=C(C=C2)O)O)O)O

Isomeric SMILES

C1C(C(C(C=C1C(=O)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O)O

InChI

InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(20)23-16(22)10-7-12(18)15(21)13(19)8-10/h1-7,12-13,15,17-19,21H,8H2/b6-3+