calcium 4-(3-chloranyl-4-cyclohexyl-phenyl)-2-oxidanylidene-butanoate

Systemtic Name: calcium 4-(3-chloranyl-4-cyclohexyl-phenyl)-2-oxidanylidene-butanoate Openeye Name: calcium 4-(3-chloro-4-cyclohexyl-phenyl)-2-oxo-butanoate CAS Name: calcium 4-(3-chloro-4-cyclohexylphenyl)-2-oxobutanoate IUPAC Name: calcium 4-(3-chloro-4-cyclohexylphenyl)-2-oxobutanoate Traditional Name: calcium 4-(3-chloro-4-cyclohexyl-phenyl)-2-keto-butyrate Formula: C16H18CaClO3+ MolecularWeight: 333.84332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClO3.Ca/c17-14-10-11(7-9-15(18)16(19)20)6-8-13(14)12-4-2-1-3-5-12;/h6,8,10,12H,1-5,7,9H2,(H,19,20);/q;+2/p-1