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

Systemtic Name: (E)-3-bromanyl-4-(4-octadecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-3-bromo-4-(4-octadecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-3-bromo-4-(4-octadecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-3-bromo-4-(4-octadecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-3-bromo-4-keto-4-(4-stearylphenyl)but-2-enoic acid Formula: C28H43BrO3 MolecularWeight: 507.54322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C(=CC(=O)O)Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)/C(=C\C(=O)O)/Br

InChI

InChI=1S/C28H43BrO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-19-21-25(22-20-24)28(32)26(29)23-27(30)31/h19-23H,2-18H2,1H3,(H,30,31)/b26-23+