3,3,14,14-tetrakis(4-methylphenyl)hexadecanedioic acid

Systemtic Name: 3,3,14,14-tetrakis(4-methylphenyl)hexadecanedioic acid Openeye Name: 3,3,14,14-tetrakis(p-tolyl)hexadecanedioic acid CAS Name: 3,3,14,14-tetrakis(4-methylphenyl)hexadecanedioic acid IUPAC Name: 3,3,14,14-tetrakis(4-methylphenyl)hexadecanedioic acid Traditional Name: 3,3,14,14-tetrakis(p-tolyl)thapsic acid Formula: C44H54O4 MolecularWeight: 646.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CCCCCCCCCCC(CC(=O)O)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)(CC(=O)O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CCCCCCCCCCC(CC(=O)O)(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C)(CC(=O)O)C4=CC=C(C=C4)C

InChI

InChI=1S/C44H54O4/c1-33-13-21-37(22-14-33)43(31-41(45)46,38-23-15-34(2)16-24-38)29-11-9-7-5-6-8-10-12-30-44(32-42(47)48,39-25-17-35(3)18-26-39)40-27-19-36(4)20-28-40/h13-28H,5-12,29-32H2,1-4H3,(H,45,46)(H,47,48)