methyl (E)-8-(2-hexylphenyl)-5,6-bis(oxidanyl)oct-7-enoate

Systemtic Name: methyl (E)-8-(2-hexylphenyl)-5,6-bis(oxidanyl)oct-7-enoate Openeye Name: methyl (E)-8-(2-hexylphenyl)-5,6-dihydroxy-oct-7-enoate CAS Name: (E)-8-(2-hexylphenyl)-5,6-dihydroxy-7-octenoic acid methyl ester IUPAC Name: methyl (E)-8-(2-hexylphenyl)-5,6-dihydroxyoct-7-enoate Traditional Name: (E)-8-(2-hexylphenyl)-5,6-dihydroxy-oct-7-enoic acid methyl ester Formula: C21H32O4 MolecularWeight: 348.47638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC=C1C=CC(C(CCCC(=O)OC)O)O

Isomeric SMILES

CCCCCCC1=CC=CC=C1/C=C/C(C(CCCC(=O)OC)O)O

InChI

InChI=1S/C21H32O4/c1-3-4-5-6-10-17-11-7-8-12-18(17)15-16-20(23)19(22)13-9-14-21(24)25-2/h7-8,11-12,15-16,19-20,22-23H,3-6,9-10,13-14H2,1-2H3/b16-15+