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

Systemtic Name: 4-(4-hexadecylphenyl)-2-methylidene-4-oxidanylidene-butanoic acid Openeye Name: 4-(4-hexadecylphenyl)-2-methylene-4-oxo-butanoic acid CAS Name: 4-(4-hexadecylphenyl)-2-methylene-4-oxobutanoic acid IUPAC Name: 4-(4-hexadecylphenyl)-2-methylidene-4-oxobutanoic acid Traditional Name: 2-[2-(4-cetylphenyl)-2-keto-ethyl]acrylic acid Formula: C27H42O3 MolecularWeight: 414.62058

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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/C27H42O3/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/h18-21H,2-17,22H2,1H3,(H,29,30)