(E)-4-(4-hexadecylphenyl)-2-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-(4-hexadecylphenyl)-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-hexadecylphenyl)-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-hexadecylphenyl)-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-hexadecylphenyl)-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-cetylphenyl)-4-keto-2-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=C(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C=C(\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/h18-22H,3-17H2,1-2H3,(H,29,30)/b23-22+