(Z)-2,3-bis(chloranyl)-4-(4-hexadecylphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (Z)-2,3-bis(chloranyl)-4-(4-hexadecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2,3-dichloro-4-(4-hexadecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2,3-dichloro-4-(4-hexadecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2,3-dichloro-4-(4-hexadecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-4-(4-cetylphenyl)-2,3-dichloro-4-keto-but-2-enoic acid Formula: C26H38Cl2O3 MolecularWeight: 469.48412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-17-19-22(20-18-21)25(29)23(27)24(28)26(30)31/h17-20H,2-16H2,1H3,(H,30,31)/b24-23-