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

Systemtic Name: O1-ethyl O2-methyl 4-butyl-6-(4-methylphenyl)carbonyl-3-oxidanyl-benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 4-butyl-3-hydroxy-6-(4-methylbenzoyl)benzene-1,2-dicarboxylate CAS Name: 4-butyl-3-hydroxy-6-[(4-methylphenyl)-oxomethyl]benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 4-butyl-3-hydroxy-6-(4-methylbenzoyl)benzene-1,2-dicarboxylate Traditional Name: 4-butyl-3-hydroxy-6-p-toluoyl-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C23H26O6 MolecularWeight: 398.44894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)C)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)C)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C23H26O6/c1-5-7-8-16-13-17(20(24)15-11-9-14(3)10-12-15)18(23(27)29-6-2)19(21(16)25)22(26)28-4/h9-13,25H,5-8H2,1-4H3