[1-[2-methanoyl-4-methyl-3,5-bis(oxidanyl)phenyl]-2-oxidanylidene-propyl] (Z)-octadec-9-enoate

Systemtic Name: [1-[2-methanoyl-4-methyl-3,5-bis(oxidanyl)phenyl]-2-oxidanylidene-propyl] (Z)-octadec-9-enoate Openeye Name: [1-(2-formyl-3,5-dihydroxy-4-methyl-phenyl)-2-oxo-propyl] (Z)-octadec-9-enoate CAS Name: (Z)-9-octadecenoic acid [1-(2-formyl-3,5-dihydroxy-4-methylphenyl)-2-oxopropyl] ester IUPAC Name: [1-(2-formyl-3,5-dihydroxy-4-methylphenyl)-2-oxopropyl] (Z)-octadec-9-enoate Traditional Name: (Z)-octadec-9-enoic acid [1-(2-formyl-3,5-dihydroxy-4-methyl-phenyl)-2-keto-propyl] ester Formula: C29H44O6 MolecularWeight: 488.65606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C1=CC(=C(C(=C1C=O)O)C)O)C(=O)C

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC(C1=CC(=C(C(=C1C=O)O)C)O)C(=O)C

InChI

InChI=1S/C29H44O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(33)35-29(23(3)31)24-20-26(32)22(2)28(34)25(24)21-30/h11-12,20-21,29,32,34H,4-10,13-19H2,1-3H3/b12-11-