calcium 4-(3-chloranyl-4-cyclohexyl-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: calcium 4-(3-chloranyl-4-cyclohexyl-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: calcium 4-(3-chloro-4-cyclohexyl-phenyl)-4-oxo-butanoic acid CAS Name: calcium 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid IUPAC Name: calcium 4-(3-chloro-4-cyclohexylphenyl)-4-oxobutanoic acid Traditional Name: calcium 4-(3-chloro-4-cyclohexyl-phenyl)-4-keto-butyric acid Formula: C16H19CaClO3+2 MolecularWeight: 334.85126

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Descriptors Computed from Structure

Canonical SMILES:

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.[Ca+2]

InChI

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