calcium 2-(1-oxidanylcyclohexyl)butanoic acid

Systemtic Name: calcium 2-(1-oxidanylcyclohexyl)butanoic acid Openeye Name: calcium 2-(1-hydroxycyclohexyl)butanoic acid CAS Name: calcium 2-(1-hydroxycyclohexyl)butanoic acid IUPAC Name: calcium 2-(1-hydroxycyclohexyl)butanoic acid Traditional Name: calcium 2-(1-hydroxycyclohexyl)butyric acid Formula: C10H18CaO3+2 MolecularWeight: 226.32612

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)C1(CCCCC1)O.[Ca+2]

Isomeric SMILES

CCC(C(=O)O)C1(CCCCC1)O.[Ca+2]

InChI

InChI=1S/C10H18O3.Ca/c1-2-8(9(11)12)10(13)6-4-3-5-7-10;/h8,13H,2-7H2,1H3,(H,11,12);/q;+2