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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(CO)N=[N+]=[N-])C(=O)C1=CC=CC=C1O

Isomeric SMILES

CCCCCCCCCCCCC/C=C/C(C(CO)N=[N+]=[N-])C(=O)C1=CC=CC=C1O

InChI

InChI=1S/C25H39N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21(23(20-29)27-28-26)25(31)22-18-15-16-19-24(22)30/h14-19,21,23,29-30H,2-13,20H2,1H3/b17-14+