sodium 2-[(1R,3R)-3-(3-oxidanyl-7-phenyl-heptyl)cyclohexyl]ethanoate

Systemtic Name: sodium 2-[(1R,3R)-3-(3-oxidanyl-7-phenyl-heptyl)cyclohexyl]ethanoate Openeye Name: sodium 2-[(1R,3R)-3-(3-hydroxy-7-phenyl-heptyl)cyclohexyl]acetate CAS Name: sodium 2-[(1R,3R)-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetate IUPAC Name: sodium 2-[(1R,3R)-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetate Traditional Name: sodium 2-[(1R,3R)-3-(3-hydroxy-7-phenyl-heptyl)cyclohexyl]acetate Formula: C21H31NaO3 MolecularWeight: 354.45881

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)CC(=O)[O-])CCC(CCCCC2=CC=CC=C2)O.[Na+]

Isomeric SMILES

C1C[C@@H](C[C@@H](C1)CC(=O)[O-])CCC(CCCCC2=CC=CC=C2)O.[Na+]

InChI

InChI=1S/C21H32O3.Na/c22-20(12-5-4-9-17-7-2-1-3-8-17)14-13-18-10-6-11-19(15-18)16-21(23)24;/h1-3,7-8,18-20,22H,4-6,9-16H2,(H,23,24);/q;+1/p-1/t18-,19-,20?;/m1./s1