tert-butyl N-[(E,3S,4R)-1-dimethoxyphosphoryl-4-oxidanyl-nonadec-5-en-3-yl]carbamate

Systemtic Name: tert-butyl N-[(E,3S,4R)-1-dimethoxyphosphoryl-4-oxidanyl-nonadec-5-en-3-yl]carbamate Openeye Name: tert-butyl N-[(E,1S,2R)-1-(2-dimethoxyphosphorylethyl)-2-hydroxy-heptadec-3-enyl]carbamate CAS Name: N-[(E,3S,4R)-1-dimethoxyphosphoryl-4-hydroxynonadec-5-en-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(E,3S,4R)-1-dimethoxyphosphoryl-4-hydroxynonadec-5-en-3-yl]carbamate Traditional Name: N-[(E,1S,2R)-1-(2-dimethoxyphosphorylethyl)-2-hydroxy-heptadec-3-enyl]carbamic acid tert-butyl ester Formula: C26H52NO6P MolecularWeight: 505.667941

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H52NO6P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(28)23(21-22-34(30,31-5)32-6)27-25(29)33-26(2,3)4/h19-20,23-24,28H,7-18,21-22H2,1-6H3,(H,27,29)/b20-19+/t23-,24+/m0/s1