sodium 8-(5-carboxy-4-hexyl-cyclohex-2-en-1-yl)octanoate

Systemtic Name: sodium 8-(5-carboxy-4-hexyl-cyclohex-2-en-1-yl)octanoate Openeye Name: sodium 8-(5-carboxy-4-hexyl-cyclohex-2-en-1-yl)octanoate CAS Name: sodium 8-(5-carboxy-4-hexyl-1-cyclohex-2-enyl)octanoate IUPAC Name: sodium 8-(5-carboxy-4-hexylcyclohex-2-en-1-yl)octanoate Traditional Name: sodium 8-(5-carboxy-4-hexyl-cyclohex-2-en-1-yl)caprylate Formula: C21H35NaO4 MolecularWeight: 374.48997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)[O-].[Na+]

InChI

InChI=1S/C21H36O4.Na/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);/q;+1/p-1