(E)-7-(4-chlorophenyl)-5-oxidanylidene-4-phenyl-4-[(E)-3-phenylprop-2-enyl]hept-6-enoic acid

Systemtic Name: (E)-7-(4-chlorophenyl)-5-oxidanylidene-4-phenyl-4-[(E)-3-phenylprop-2-enyl]hept-6-enoic acid Openeye Name: (E)-7-(4-chlorophenyl)-4-[(E)-cinnamyl]-5-oxo-4-phenyl-hept-6-enoic acid CAS Name: (E)-7-(4-chlorophenyl)-5-oxo-4-phenyl-4-[(E)-3-phenylprop-2-enyl]-6-heptenoic acid IUPAC Name: (E)-7-(4-chlorophenyl)-5-oxo-4-phenyl-4-[(E)-3-phenylprop-2-enyl]hept-6-enoic acid Traditional Name: (E)-7-(4-chlorophenyl)-4-[(E)-cinnamyl]-5-keto-4-phenyl-hept-6-enoic acid Formula: C28H25ClO3 MolecularWeight: 444.9493

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCC(CCC(=O)O)(C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CC(CCC(=O)O)(C2=CC=CC=C2)C(=O)/C=C/C3=CC=C(C=C3)Cl

InChI

InChI=1S/C28H25ClO3/c29-25-16-13-23(14-17-25)15-18-26(30)28(21-19-27(31)32,24-11-5-2-6-12-24)20-7-10-22-8-3-1-4-9-22/h1-18H,19-21H2,(H,31,32)/b10-7+,18-15+