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

Systemtic Name: (E)-3-bromanyl-4-(4-dodecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-3-bromo-4-(4-dodecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-3-bromo-4-(4-dodecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-3-bromo-4-(4-dodecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-3-bromo-4-keto-4-(4-laurylphenyl)but-2-enoic acid Formula: C22H31BrO3 MolecularWeight: 423.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C(=CC(=O)O)Br

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C(=C\C(=O)O)/Br

InChI

InChI=1S/C22H31BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-15-19(16-14-18)22(26)20(23)17-21(24)25/h13-17H,2-12H2,1H3,(H,24,25)/b20-17+