calcium 2-(1-oxidanylcyclohexyl)butanoate

Systemtic Name: calcium 2-(1-oxidanylcyclohexyl)butanoate Openeye Name: calcium 2-(1-hydroxycyclohexyl)butanoate CAS Name: calcium 2-(1-hydroxycyclohexyl)butanoate IUPAC Name: calcium 2-(1-hydroxycyclohexyl)butanoate Traditional Name: calcium 2-(1-hydroxycyclohexyl)butyrate Formula: C20H34CaO6 MolecularWeight: 410.55836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H18O3.Ca/c2*1-2-8(9(11)12)10(13)6-4-3-5-7-10;/h2*8,13H,2-7H2,1H3,(H,11,12);/q;;+2/p-2