(Z)-4-(4-hexadecylphenyl)-3-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-4-(4-hexadecylphenyl)-3-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(4-hexadecylphenyl)-3-methyl-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(4-hexadecylphenyl)-3-methyl-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(4-hexadecylphenyl)-3-methyl-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(4-cetylphenyl)-4-keto-3-methyl-but-2-enoic acid Formula: C27H42O3 MolecularWeight: 414.62058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)27(30)23(2)22-26(28)29/h18-22H,3-17H2,1-2H3,(H,28,29)/b23-22-