sodium 7-[(1R,2S)-2-hexyl-5-oxidanyl-cyclopentyl]heptanoic acid

Systemtic Name: sodium 7-[(1R,2S)-2-hexyl-5-oxidanyl-cyclopentyl]heptanoic acid Openeye Name: sodium 7-[(1R,2S)-2-hexyl-5-hydroxy-cyclopentyl]heptanoic acid CAS Name: sodium 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid IUPAC Name: sodium 7-[(1R,2S)-2-hexyl-5-hydroxycyclopentyl]heptanoic acid Traditional Name: sodium 7-[(1R,2S)-2-hexyl-5-hydroxy-cyclopentyl]enanthic acid Formula: C18H34NaO3+ MolecularWeight: 321.45053

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(C1CCCCCCC(=O)O)O.[Na+]

Isomeric SMILES

CCCCCC[C@H]1CCC([C@@H]1CCCCCCC(=O)O)O.[Na+]

InChI

InChI=1S/C18H34O3.Na/c1-2-3-4-7-10-15-13-14-17(19)16(15)11-8-5-6-9-12-18(20)21;/h15-17,19H,2-14H2,1H3,(H,20,21);/q;+1/t15-,16+,17?;/m0./s1