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

Systemtic Name: (Z)-2,3-bis(chloranyl)-4-(4-octadecylphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (Z)-2,3-dichloro-4-(4-octadecylphenyl)-4-oxo-but-2-enoic acid CAS Name: (Z)-2,3-dichloro-4-(4-octadecylphenyl)-4-oxo-2-butenoic acid IUPAC Name: (Z)-2,3-dichloro-4-(4-octadecylphenyl)-4-oxobut-2-enoic acid Traditional Name: (Z)-2,3-dichloro-4-keto-4-(4-stearylphenyl)but-2-enoic acid Formula: C28H42Cl2O3 MolecularWeight: 497.53728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(22-20-23)27(31)25(29)26(30)28(32)33/h19-22H,2-18H2,1H3,(H,32,33)/b26-25-