2-hexyl-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylic acid; 2-(2-hydroxyethylamino)ethanol

Systemtic Name: 2-hexyl-5-(8-oxidanyl-8-oxidanylidene-octyl)cyclohex-3-ene-1-carboxylic acid; 2-(2-hydroxyethylamino)ethanol Openeye Name: 2-hexyl-5-(8-hydroxy-8-oxo-octyl)cyclohex-3-ene-1-carboxylic acid; 2-(2-hydroxyethylamino)ethanol CAS Name: 2-hexyl-5-(8-hydroxy-8-oxooctyl)-1-cyclohex-3-enecarboxylic acid; 2-(2-hydroxyethylamino)ethanol IUPAC Name: 2-hexyl-5-(8-hydroxy-8-oxooctyl)cyclohex-3-ene-1-carboxylic acid; 2-(2-hydroxyethylamino)ethanol Traditional Name: 2-hexyl-5-(8-hydroxy-8-keto-octyl)cyclohex-3-ene-1-carboxylic acid; 2-(2-hydroxyethylamino)ethanol Formula: C25H47NO6 MolecularWeight: 457.64378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.C(CO)NCCO

Isomeric SMILES

CCCCCCC1C=CC(CC1C(=O)O)CCCCCCCC(=O)O.C(CO)NCCO

InChI

InChI=1S/C21H36O4.C4H11NO2/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;6-3-1-5-2-4-7/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);5-7H,1-4H2