4-[(4-dodecylphenyl)methyl]-6-[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 4-[(4-dodecylphenyl)methyl]-6-[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid Openeye Name: 4-[(4-dodecylphenyl)methyl]-6-(p-tolylmethyl)benzene-1,3-dicarboxylic acid CAS Name: 4-[(4-dodecylphenyl)methyl]-6-[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid IUPAC Name: 4-[(4-dodecylphenyl)methyl]-6-[(4-methylphenyl)methyl]benzene-1,3-dicarboxylic acid Traditional Name: 4-(4-laurylbenzyl)-6-(4-methylbenzyl)isophthalic acid Formula: C35H44O4 MolecularWeight: 528.72146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)CC2=C(C=C(C(=C2)CC3=CC=C(C=C3)C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=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/C35H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-27-18-20-29(21-19-27)23-31-24-30(22-28-16-14-26(2)15-17-28)32(34(36)37)25-33(31)35(38)39/h14-21,24-25H,3-13,22-23H2,1-2H3,(H,36,37)(H,38,39)