(E)-3-bromanyl-4-(4-hexadecylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-3-bromanyl-4-(4-hexadecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-3-bromo-4-(4-hexadecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-3-bromo-4-(4-hexadecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-3-bromo-4-(4-hexadecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-3-bromo-4-(4-cetylphenyl)-4-keto-but-2-enoic acid Formula: C26H39BrO3 MolecularWeight: 479.49006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)26(30)24(27)21-25(28)29/h17-21H,2-16H2,1H3,(H,28,29)/b24-21+