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

Systemtic Name: O1-ethyl O2-methyl 6-(4-methylphenyl)carbonyl-4-nonyl-3-oxidanyl-benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 3-hydroxy-6-(4-methylbenzoyl)-4-nonyl-benzene-1,2-dicarboxylate CAS Name: 3-hydroxy-6-[(4-methylphenyl)-oxomethyl]-4-nonylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 3-hydroxy-6-(4-methylbenzoyl)-4-nonylbenzene-1,2-dicarboxylate Traditional Name: 3-hydroxy-4-nonyl-6-p-toluoyl-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)C)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)C)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C28H36O6/c1-5-7-8-9-10-11-12-13-21-18-22(25(29)20-16-14-19(3)15-17-20)23(28(32)34-6-2)24(26(21)30)27(31)33-4/h14-18,30H,5-13H2,1-4H3