calcium (Z,2Z)-4-phenyl-3-phenylmethoxycarbonyl-2-(phenylmethylidene)but-3-enoate benzoate

Systemtic Name: calcium (Z,2Z)-4-phenyl-3-phenylmethoxycarbonyl-2-(phenylmethylidene)but-3-enoate benzoate Openeye Name: calcium (Z,2Z)-2-benzylidene-3-benzyloxycarbonyl-4-phenyl-but-3-enoate benzoate CAS Name: calcium (Z,2Z)-4-phenyl-3-phenylmethoxycarbonyl-2-(phenylmethylene)-3-butenoate benzoate IUPAC Name: calcium (Z,2Z)-2-benzylidene-4-phenyl-3-phenylmethoxycarbonylbut-3-enoate benzoate Traditional Name: calcium (Z,2Z)-2-benzal-3-carbobenzoxy-4-phenyl-but-3-enoate benzoate Formula: C32H24CaO6 MolecularWeight: 544.60736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=CC2=CC=CC=C2)C(=CC3=CC=CC=C3)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C(=C\C2=CC=CC=C2)/C(=C/C3=CC=CC=C3)/C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Ca+2]

InChI

InChI=1S/C25H20O4.C7H6O2.Ca/c26-24(27)22(16-19-10-4-1-5-11-19)23(17-20-12-6-2-7-13-20)25(28)29-18-21-14-8-3-9-15-21;8-7(9)6-4-2-1-3-5-6;/h1-17H,18H2,(H,26,27);1-5H,(H,8,9);/q;;+2/p-2/b22-16-,23-17-;;