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

Systemtic Name: sodium 2-[(1S,3R)-1-oxidanyl-3-(3-oxidanyl-7-phenyl-heptyl)cyclohexyl]ethanoate Openeye Name: sodium 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenyl-heptyl)cyclohexyl]acetate CAS Name: sodium 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetate IUPAC Name: sodium 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenylheptyl)cyclohexyl]acetate Traditional Name: sodium 2-[(1S,3R)-1-hydroxy-3-(3-hydroxy-7-phenyl-heptyl)cyclohexyl]acetate Formula: C21H31NaO4 MolecularWeight: 370.45821

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O4.Na/c22-19(11-5-4-9-17-7-2-1-3-8-17)13-12-18-10-6-14-21(25,15-18)16-20(23)24;/h1-3,7-8,18-19,22,25H,4-6,9-16H2,(H,23,24);/q;+1/p-1/t18-,19?,21+;/m1./s1