sodium 4-[[[(9E,12E)-octadeca-9,12-dienyl]amino]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: sodium 4-[[[(9E,12E)-octadeca-9,12-dienyl]amino]methyl]cyclohexane-1-carboxylic acid Openeye Name: sodium 4-[[[(9E,12E)-octadeca-9,12-dienyl]amino]methyl]cyclohexanecarboxylic acid CAS Name: sodium 4-[[[(9E,12E)-octadeca-9,12-dienyl]amino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: sodium 4-[[[(9E,12E)-octadeca-9,12-dienyl]amino]methyl]cyclohexane-1-carboxylic acid Traditional Name: sodium 4-[[[(9E,12E)-octadeca-9,12-dienyl]amino]methyl]cyclohexanecarboxylic acid Formula: C26H47NNaO2+ MolecularWeight: 428.64665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCCNCC1CCC(CC1)C(=O)O.[Na+]

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCCNCC1CCC(CC1)C(=O)O.[Na+]

InChI

InChI=1S/C26H47NO2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-23-24-18-20-25(21-19-24)26(28)29;/h6-7,9-10,24-25,27H,2-5,8,11-23H2,1H3,(H,28,29);/q;+1/b7-6+,10-9+;