(E)-2-(1-azido-2-oxidanyl-ethyl)-2-oxidanyl-1-phenyl-heptadec-3-en-1-one

Systemtic Name: (E)-2-(1-azido-2-oxidanyl-ethyl)-2-oxidanyl-1-phenyl-heptadec-3-en-1-one Openeye Name: (E)-2-(1-azido-2-hydroxy-ethyl)-2-hydroxy-1-phenyl-heptadec-3-en-1-one CAS Name: (E)-2-(1-azido-2-hydroxyethyl)-2-hydroxy-1-phenyl-3-heptadecen-1-one IUPAC Name: (E)-2-(1-azido-2-hydroxyethyl)-2-hydroxy-1-phenylheptadec-3-en-1-one Traditional Name: (E)-2-(1-azido-2-hydroxy-ethyl)-2-hydroxy-1-phenyl-heptadec-3-en-1-one Formula: C25H39N3O3 MolecularWeight: 429.59546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H39N3O3/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/h14-20,23,29,31H,2-13,21H2,1H3/b20-17+