4-[(3-hexyl-4-methyl-phenyl)methyl]-6-(phenylmethyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(3-hexyl-4-methyl-phenyl)methyl]-6-(phenylmethyl)benzene-1,3-dicarboxylic acid Openeye Name: 4-benzyl-6-[(3-hexyl-4-methyl-phenyl)methyl]benzene-1,3-dicarboxylic acid CAS Name: 4-[(3-hexyl-4-methylphenyl)methyl]-6-(phenylmethyl)benzene-1,3-dicarboxylic acid IUPAC Name: 4-benzyl-6-[(3-hexyl-4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-benzyl-6-(3-hexyl-4-methyl-benzyl)isophthalic acid Formula: C29H32O4 MolecularWeight: 444.56198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)CC2=C(C=C(C(=C2)CC3=CC=CC=C3)C(=O)O)C(=O)O)C

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)CC2=C(C=C(C(=C2)CC3=CC=CC=C3)C(=O)O)C(=O)O)C

InChI

InChI=1S/C29H32O4/c1-3-4-5-9-12-23-16-22(14-13-20(23)2)17-25-18-24(15-21-10-7-6-8-11-21)26(28(30)31)19-27(25)29(32)33/h6-8,10-11,13-14,16,18-19H,3-5,9,12,15,17H2,1-2H3,(H,30,31)(H,32,33)