3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-methoxy-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid

Systemtic Name: 3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-methoxy-4,5-bis(oxidanyl)cyclohexane-1-carboxylic acid Openeye Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-methoxy-cyclohexanecarboxylic acid CAS Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1-methoxy-1-cyclohexanecarboxylic acid IUPAC Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-methoxycyclohexane-1-carboxylic acid Traditional Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-1-methoxy-cyclohexanecarboxylic acid Formula: C17H20O8 MolecularWeight: 352.3359

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC(C(C(C1)OC(=O)C=CC2=CC=C(C=C2)O)O)O)C(=O)O

Isomeric SMILES

COC1(CC(C(C(C1)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O)C(=O)O

InChI

InChI=1S/C17H20O8/c1-24-17(16(22)23)8-12(19)15(21)13(9-17)25-14(20)7-4-10-2-5-11(18)6-3-10/h2-7,12-13,15,18-19,21H,8-9H2,1H3,(H,22,23)/b7-4+