1-[3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-1-dodecyl-3-octadecyl-urea

Systemtic Name: 1-[3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]-1-dodecyl-3-octadecyl-urea Openeye Name: 1-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1-dodecyl-3-octadecyl-urea CAS Name: 1-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]-1-dodecyl-3-octadecylurea IUPAC Name: 1-[3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-1-dodecyl-3-octadecylurea Traditional Name: 1-(3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl)-1-lauryl-3-stearyl-urea Formula: C37H75N3O5 MolecularWeight: 642.0085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)N(CCCCCCCCCCCC)C1C(C(C(C(O1)CO)O)O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)N(CCCCCCCCCCCC)C1C(C(C(C(O1)CO)O)O)N

InChI

InChI=1S/C37H75N3O5/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-39-37(44)40(30-28-26-24-22-14-12-10-8-6-4-2)36-33(38)35(43)34(42)32(31-41)45-36/h32-36,41-43H,3-31,38H2,1-2H3,(H,39,44)