methyl (9S,10R,12S,13R)-9,12-diazido-10,13-bis(oxidanyl)octadecanoate

Systemtic Name: methyl (9S,10R,12S,13R)-9,12-diazido-10,13-bis(oxidanyl)octadecanoate Openeye Name: methyl (9S,10R,12S,13R)-9,12-diazido-10,13-dihydroxy-octadecanoate CAS Name: (9S,10R,12S,13R)-9,12-diazido-10,13-dihydroxyoctadecanoic acid methyl ester IUPAC Name: methyl (9S,10R,12S,13R)-9,12-diazido-10,13-dihydroxyoctadecanoate Traditional Name: (9S,10R,12S,13R)-9,12-diazido-10,13-dihydroxy-stearic acid methyl ester Formula: C19H36N6O4 MolecularWeight: 412.52694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(CC(C(CCCCCCCC(=O)OC)N=[N+]=[N-])O)N=[N+]=[N-])O

Isomeric SMILES

CCCCC[C@H]([C@H](C[C@H]([C@H](CCCCCCCC(=O)OC)N=[N+]=[N-])O)N=[N+]=[N-])O

InChI

InChI=1S/C19H36N6O4/c1-3-4-8-12-17(26)16(23-25-21)14-18(27)15(22-24-20)11-9-6-5-7-10-13-19(28)29-2/h15-18,26-27H,3-14H2,1-2H3/t15-,16-,17+,18+/m0/s1