2-[(4-dodecylphenyl)methyl]-5-[(4-methylphenyl)methyl]terephthalic acid

Systemtic Name: 2-[(4-dodecylphenyl)methyl]-5-[(4-methylphenyl)methyl]terephthalic acid Openeye Name: 2-[(4-dodecylphenyl)methyl]-5-(p-tolylmethyl)terephthalic acid CAS Name: 2-[(4-dodecylphenyl)methyl]-5-[(4-methylphenyl)methyl]terephthalic acid IUPAC Name: 2-[(4-dodecylphenyl)methyl]-5-[(4-methylphenyl)methyl]terephthalic acid Traditional Name: 2-(4-laurylbenzyl)-5-(4-methylbenzyl)terephthalic acid Formula: C35H44O4 MolecularWeight: 528.72146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)CC3=CC=C(C=C3)C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)CC2=CC(=C(C=C2C(=O)O)CC3=CC=C(C=C3)C)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)23-31-25-32(34(36)37)30(24-33(31)35(38)39)22-28-16-14-26(2)15-17-28/h14-21,24-25H,3-13,22-23H2,1-2H3,(H,36,37)(H,38,39)