O1-ethyl O2-methyl 6-(4-methylphenyl)carbonyl-4-octyl-3-oxidanyl-benzene-1,2-dicarboxylate

Systemtic Name: O1-ethyl O2-methyl 6-(4-methylphenyl)carbonyl-4-octyl-3-oxidanyl-benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 3-hydroxy-6-(4-methylbenzoyl)-4-octyl-benzene-1,2-dicarboxylate CAS Name: 3-hydroxy-6-[(4-methylphenyl)-oxomethyl]-4-octylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 3-hydroxy-6-(4-methylbenzoyl)-4-octylbenzene-1,2-dicarboxylate Traditional Name: 3-hydroxy-4-octyl-6-p-toluoyl-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C27H34O6 MolecularWeight: 454.55526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)C)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)C)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C27H34O6/c1-5-7-8-9-10-11-12-20-17-21(24(28)19-15-13-18(3)14-16-19)22(27(31)33-6-2)23(25(20)29)26(30)32-4/h13-17,29H,5-12H2,1-4H3