1-[2,3-bis(oxidanyl)propyl]-3-[(3Z,6Z,9Z,12Z)-octadeca-3,6,9,12-tetraenyl]urea

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-3-[(3Z,6Z,9Z,12Z)-octadeca-3,6,9,12-tetraenyl]urea Openeye Name: 1-(2,3-dihydroxypropyl)-3-[(3Z,6Z,9Z,12Z)-octadeca-3,6,9,12-tetraenyl]urea CAS Name: 1-(2,3-dihydroxypropyl)-3-[(3Z,6Z,9Z,12Z)-octadeca-3,6,9,12-tetraenyl]urea IUPAC Name: 1-(2,3-dihydroxypropyl)-3-[(3Z,6Z,9Z,12Z)-octadeca-3,6,9,12-tetraenyl]urea Traditional Name: 1-glyceryl-3-[(3Z,6Z,9Z,12Z)-octadeca-3,6,9,12-tetraenyl]urea Formula: C22H38N2O3 MolecularWeight: 378.54872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCC=CCCNC(=O)NCC(CO)O

Isomeric SMILES

CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCNC(=O)NCC(CO)O

InChI

InChI=1S/C22H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(27)24-19-21(26)20-25/h6-7,9-10,12-13,15-16,21,25-26H,2-5,8,11,14,17-20H2,1H3,(H2,23,24,27)/b7-6-,10-9-,13-12-,16-15-