sodium 2-(1-oxidanylcyclohexyl)butanoate

Systemtic Name: sodium 2-(1-oxidanylcyclohexyl)butanoate Openeye Name: sodium 2-(1-hydroxycyclohexyl)butanoate CAS Name: sodium 2-(1-hydroxycyclohexyl)butanoate IUPAC Name: sodium 2-(1-hydroxycyclohexyl)butanoate Traditional Name: sodium 2-(1-hydroxycyclohexyl)butyrate Formula: C10H17NaO3 MolecularWeight: 208.22995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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