4-(4-butan-2-ylphenyl)carbonyl-6-(4-methylphenyl)carbonyl-benzene-1,3-dicarboxylic acid

Systemtic Name: 4-(4-butan-2-ylphenyl)carbonyl-6-(4-methylphenyl)carbonyl-benzene-1,3-dicarboxylic acid Openeye Name: 4-(4-methylbenzoyl)-6-(4-sec-butylbenzoyl)benzene-1,3-dicarboxylic acid CAS Name: 4-[(4-butan-2-ylphenyl)-oxomethyl]-6-[(4-methylphenyl)-oxomethyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-(4-butan-2-ylbenzoyl)-6-(4-methylbenzoyl)benzene-1,3-dicarboxylic acid Traditional Name: 4-p-toluoyl-6-(4-sec-butylbenzoyl)isophthalic acid Formula: C27H24O6 MolecularWeight: 444.47586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24O6/c1-4-16(3)17-9-11-19(12-10-17)25(29)21-13-20(22(26(30)31)14-23(21)27(32)33)24(28)18-7-5-15(2)6-8-18/h5-14,16H,4H2,1-3H3,(H,30,31)(H,32,33)