4-(4-hexadecylphenyl)-2-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(4-hexadecylphenyl)-2-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-hexadecylphenyl)-2-methyl-4-oxo-butanoic acid CAS Name: 4-(4-hexadecylphenyl)-2-methyl-4-oxobutanoic acid IUPAC Name: 4-(4-hexadecylphenyl)-2-methyl-4-oxobutanoic acid Traditional Name: 4-(4-cetylphenyl)-4-keto-2-methyl-butyric acid Formula: C27H44O3 MolecularWeight: 416.63646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CC(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)CC(C)C(=O)O

InChI

InChI=1S/C27H44O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-18-20-25(21-19-24)26(28)22-23(2)27(29)30/h18-21,23H,3-17,22H2,1-2H3,(H,29,30)