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

Systemtic Name: 3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)-1-propoxy-cyclohexane-1-carboxylic acid Openeye Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-propoxy-cyclohexanecarboxylic acid CAS Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enoxy]-1-propoxy-1-cyclohexanecarboxylic acid IUPAC Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-1-propoxycyclohexane-1-carboxylic acid Traditional Name: 3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)acryloyl]oxy-1-propoxy-cyclohexanecarboxylic acid Formula: C19H24O8 MolecularWeight: 380.38906

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1(CC(C(C(C1)OC(=O)C=CC2=CC=C(C=C2)O)O)O)C(=O)O

Isomeric SMILES

CCCOC1(CC(C(C(C1)OC(=O)/C=C/C2=CC=C(C=C2)O)O)O)C(=O)O

InChI

InChI=1S/C19H24O8/c1-2-9-26-19(18(24)25)10-14(21)17(23)15(11-19)27-16(22)8-5-12-3-6-13(20)7-4-12/h3-8,14-15,17,20-21,23H,2,9-11H2,1H3,(H,24,25)/b8-5+