sodium 2-(1-oxidanyl-4-phenyl-cyclohexyl)butanoate

Systemtic Name: sodium 2-(1-oxidanyl-4-phenyl-cyclohexyl)butanoate Openeye Name: sodium 2-(1-hydroxy-4-phenyl-cyclohexyl)butanoate CAS Name: sodium 2-(1-hydroxy-4-phenylcyclohexyl)butanoate IUPAC Name: sodium 2-(1-hydroxy-4-phenylcyclohexyl)butanoate Traditional Name: sodium 2-(1-hydroxy-4-phenyl-cyclohexyl)butyrate Formula: C16H21NaO3 MolecularWeight: 284.32591

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])C1(CCC(CC1)C2=CC=CC=C2)O.[Na+]

Isomeric SMILES

CCC(C(=O)[O-])C1(CCC(CC1)C2=CC=CC=C2)O.[Na+]

InChI

InChI=1S/C16H22O3.Na/c1-2-14(15(17)18)16(19)10-8-13(9-11-16)12-6-4-3-5-7-12;/h3-7,13-14,19H,2,8-11H2,1H3,(H,17,18);/q;+1/p-1