1-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-3-hexyl-urea

Systemtic Name: 1-[(E,2S,3R)-1,3-bis(oxidanyl)octadec-4-en-2-yl]-3-hexyl-urea Openeye Name: 1-hexyl-3-[(E,1S,2R)-2-hydroxy-1-(hydroxymethyl)heptadec-3-enyl]urea CAS Name: 1-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-3-hexylurea IUPAC Name: 1-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]-3-hexylurea Traditional Name: 1-hexyl-3-[(E,1S,2R)-2-hydroxy-1-methylol-heptadec-3-enyl]urea Formula: C25H50N2O3 MolecularWeight: 426.6761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)NC(=O)NCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)NC(=O)NCCCCCC)O

InChI

InChI=1S/C25H50N2O3/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-24(29)23(22-28)27-25(30)26-21-19-8-6-4-2/h18,20,23-24,28-29H,3-17,19,21-22H2,1-2H3,(H2,26,27,30)/b20-18+/t23-,24+/m0/s1