2-(4-octoxyphenoxy)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)ethanone

Systemtic Name: 2-(4-octoxyphenoxy)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)ethanone Openeye Name: 2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)ethanone CAS Name: 2-(4-octoxyphenoxy)-1-(3-oxido-1-benzotriazol-3-iumyl)ethanone IUPAC Name: 2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)ethanone Traditional Name: 2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)ethanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)N2C3=CC=CC=C3[N+](=N2)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OCC(=O)N2C3=CC=CC=C3[N+](=N2)[O-]

InChI

InChI=1S/C22H27N3O4/c1-2-3-4-5-6-9-16-28-18-12-14-19(15-13-18)29-17-22(26)24-20-10-7-8-11-21(20)25(27)23-24/h7-8,10-15H,2-6,9,16-17H2,1H3