1-[1,3-bis(oxidanyl)octadecan-2-yl]-3-dodecyl-urea

Systemtic Name: 1-[1,3-bis(oxidanyl)octadecan-2-yl]-3-dodecyl-urea Openeye Name: 1-dodecyl-3-[2-hydroxy-1-(hydroxymethyl)heptadecyl]urea CAS Name: 1-(1,3-dihydroxyoctadecan-2-yl)-3-dodecylurea IUPAC Name: 1-(1,3-dihydroxyoctadecan-2-yl)-3-dodecylurea Traditional Name: 1-(2-hydroxy-1-methylol-heptadecyl)-3-lauryl-urea Formula: C31H64N2O3 MolecularWeight: 512.85146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CO)NC(=O)NCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(CO)NC(=O)NCCCCCCCCCCCC)O

InChI

InChI=1S/C31H64N2O3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-30(35)29(28-34)33-31(36)32-27-25-23-21-19-14-12-10-8-6-4-2/h29-30,34-35H,3-28H2,1-2H3,(H2,32,33,36)