4-(3-hexyl-4-methyl-phenyl)carbonyl-6-(phenylcarbonyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(3-hexyl-4-methyl-phenyl)carbonyl-6-(phenylcarbonyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-benzoyl-6-(3-hexyl-4-methyl-benzoyl)benzene-1,3-dicarboxylic acid CAS Name: 4-benzoyl-6-[(3-hexyl-4-methylphenyl)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-benzoyl-6-(3-hexyl-4-methylbenzoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-benzoyl-6-(3-hexyl-4-methyl-benzoyl)isophthalic acid Formula: C29H28O6 MolecularWeight: 472.52902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)C(=O)C2=C(C=C(C(=C2)C(=O)C3=CC=CC=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)C(=O)C2=C(C=C(C(=C2)C(=O)C3=CC=CC=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C29H28O6/c1-3-4-5-7-12-20-15-21(14-13-18(20)2)27(31)23-16-22(26(30)19-10-8-6-9-11-19)24(28(32)33)17-25(23)29(34)35/h6,8-11,13-17H,3-5,7,12H2,1-2H3,(H,32,33)(H,34,35)