16-[4-(4-methylphenyl)carbonylphenyl]hexadecanoic acid

Systemtic Name: 16-[4-(4-methylphenyl)carbonylphenyl]hexadecanoic acid Openeye Name: 16-[4-(4-methylbenzoyl)phenyl]hexadecanoic acid CAS Name: 16-[4-[(4-methylphenyl)-oxomethyl]phenyl]hexadecanoic acid IUPAC Name: 16-[4-(4-methylbenzoyl)phenyl]hexadecanoic acid Traditional Name: 16-(4-p-toluoylphenyl)palmitic acid Formula: C30H42O3 MolecularWeight: 450.65268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C30H42O3/c1-25-17-21-27(22-18-25)30(33)28-23-19-26(20-24-28)15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-29(31)32/h17-24H,2-16H2,1H3,(H,31,32)