tert-butyl N-[(E,2S,3R)-1-dimethoxyphosphoryloxy-3-oxidanyl-octadec-4-en-2-yl]carbamate

Systemtic Name: tert-butyl N-[(E,2S,3R)-1-dimethoxyphosphoryloxy-3-oxidanyl-octadec-4-en-2-yl]carbamate Openeye Name: tert-butyl N-[(E,1S,2R)-1-(dimethoxyphosphoryloxymethyl)-2-hydroxy-heptadec-3-enyl]carbamate CAS Name: N-[(E,2S,3R)-1-dimethoxyphosphoryloxy-3-hydroxyoctadec-4-en-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,2S,3R)-1-dimethoxyphosphoryloxy-3-hydroxyoctadec-4-en-2-yl]carbamate Traditional Name: N-[(E,1S,2R)-1-(dimethoxyphosphoryloxymethyl)-2-hydroxy-heptadec-3-enyl]carbamic acid tert-butyl ester Formula: C25H50NO7P MolecularWeight: 507.640761

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COP(=O)(OC)OC)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(OC)OC)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C25H50NO7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)22(21-32-34(29,30-5)31-6)26-24(28)33-25(2,3)4/h19-20,22-23,27H,7-18,21H2,1-6H3,(H,26,28)/b20-19+/t22-,23+/m0/s1