sodium 3-oxidanyl-3-[(1R,2S)-2-oxidanylcyclohexyl]butanoate

Systemtic Name: sodium 3-oxidanyl-3-[(1R,2S)-2-oxidanylcyclohexyl]butanoate Openeye Name: sodium 3-hydroxy-3-[(1R,2S)-2-hydroxycyclohexyl]butanoate CAS Name: sodium 3-hydroxy-3-[(1R,2S)-2-hydroxycyclohexyl]butanoate IUPAC Name: sodium 3-hydroxy-3-[(1R,2S)-2-hydroxycyclohexyl]butanoate Traditional Name: sodium 3-hydroxy-3-[(1R,2S)-2-hydroxycyclohexyl]butyrate Formula: C10H17NaO4 MolecularWeight: 224.22935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])(C1CCCCC1O)O.[Na+]

Isomeric SMILES

CC(CC(=O)[O-])([C@@H]1CCCC[C@@H]1O)O.[Na+]

InChI

InChI=1S/C10H18O4.Na/c1-10(14,6-9(12)13)7-4-2-3-5-8(7)11;/h7-8,11,14H,2-6H2,1H3,(H,12,13);/q;+1/p-1/t7-,8+,10?;/m1./s1