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

Systemtic Name: 4-(4-hexadecylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-hexadecylphenyl)-4-oxo-butanoic acid CAS Name: 4-(4-hexadecylphenyl)-4-oxobutanoic acid IUPAC Name: 4-(4-hexadecylphenyl)-4-oxobutanoic acid Traditional Name: 4-(4-cetylphenyl)-4-keto-butyric acid Formula: C26H42O3 MolecularWeight: 402.60988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-19-24(20-18-23)25(27)21-22-26(28)29/h17-20H,2-16,21-22H2,1H3,(H,28,29)