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

Systemtic Name: (Z)-4-(4-hexadecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-4-(4-hexadecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-4-(4-hexadecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-4-(4-hexadecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(4-cetylphenyl)-4-keto-but-2-enoic acid Formula: C26H40O3 MolecularWeight: 400.594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40O3/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/h17-22H,2-16H2,1H3,(H,28,29)/b22-21-