calcium 4-(3-chloranyl-4-cyclohexyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: calcium 4-(3-chloranyl-4-cyclohexyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: calcium 4-(3-chloro-4-cyclohexyl-phenyl)-4-oxo-butanoate CAS Name: calcium 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate IUPAC Name: calcium 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoate Traditional Name: calcium 4-(3-chloro-4-cyclohexyl-phenyl)-4-keto-butyrate Formula: C32H36CaCl2O6 MolecularWeight: 627.60864

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)[O-])Cl.C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)[O-])Cl.[Ca+2]

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)[O-])Cl.C1CCC(CC1)C2=C(C=C(C=C2)C(=O)CCC(=O)[O-])Cl.[Ca+2]

InChI

InChI=1S/2C16H19ClO3.Ca/c2*17-14-10-12(15(18)8-9-16(19)20)6-7-13(14)11-4-2-1-3-5-11;/h2*6-7,10-11H,1-5,8-9H2,(H,19,20);/q;;+2/p-2