4-[(4-butan-2-ylphenyl)methyl]-6-[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(4-butan-2-ylphenyl)methyl]-6-[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-(p-tolylmethyl)-6-[(4-sec-butylphenyl)methyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[(4-butan-2-ylphenyl)methyl]-6-[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(4-butan-2-ylphenyl)methyl]-6-[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-(4-methylbenzyl)-6-(4-sec-butylbenzyl)isophthalic acid Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)CC2=C(C=C(C(=C2)CC3=CC=C(C=C3)C)C(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)CC2=C(C=C(C(=C2)CC3=CC=C(C=C3)C)C(=O)O)C(=O)O

InChI

InChI=1S/C27H28O4/c1-4-18(3)21-11-9-20(10-12-21)14-23-15-22(13-19-7-5-17(2)6-8-19)24(26(28)29)16-25(23)27(30)31/h5-12,15-16,18H,4,13-14H2,1-3H3,(H,28,29)(H,30,31)