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

Systemtic Name: 2-[(4-butan-2-ylphenyl)methyl]-5-[(4-methylphenyl)methyl]terephthalic acid Openeye Name: 2-(p-tolylmethyl)-5-[(4-sec-butylphenyl)methyl]terephthalic acid CAS Name: 2-[(4-butan-2-ylphenyl)methyl]-5-[(4-methylphenyl)methyl]terephthalic acid IUPAC Name: 2-[(4-butan-2-ylphenyl)methyl]-5-[(4-methylphenyl)methyl]terephthalic acid Traditional Name: 2-(4-methylbenzyl)-5-(4-sec-butylbenzyl)terephthalic acid Formula: C27H28O4 MolecularWeight: 416.50882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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