2-(1-azido-2-oxidanyl-ethyl)-2-oxidanyl-1-phenyl-heptadecan-1-one

Systemtic Name: 2-(1-azido-2-oxidanyl-ethyl)-2-oxidanyl-1-phenyl-heptadecan-1-one Openeye Name: 2-(1-azido-2-hydroxy-ethyl)-2-hydroxy-1-phenyl-heptadecan-1-one CAS Name: 2-(1-azido-2-hydroxyethyl)-2-hydroxy-1-phenyl-1-heptadecanone IUPAC Name: 2-(1-azido-2-hydroxyethyl)-2-hydroxy-1-phenylheptadecan-1-one Traditional Name: 2-(1-azido-2-hydroxy-ethyl)-2-hydroxy-1-phenyl-heptadecan-1-one Formula: C25H41N3O3 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(CO)N=[N+]=[N-])(C(=O)C1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(C(CO)N=[N+]=[N-])(C(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C25H41N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-25(31,23(21-29)27-28-26)24(30)22-18-15-14-16-19-22/h14-16,18-19,23,29,31H,2-13,17,20-21H2,1H3