2-(4-octoxyphenoxy)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)propan-1-one

Systemtic Name: 2-(4-octoxyphenoxy)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)propan-1-one Openeye Name: 2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one CAS Name: 2-(4-octoxyphenoxy)-1-(3-oxido-1-benzotriazol-3-iumyl)-1-propanone IUPAC Name: 2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one Traditional Name: 2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O4/c1-3-4-5-6-7-10-17-29-19-13-15-20(16-14-19)30-18(2)23(27)25-21-11-8-9-12-22(21)26(28)24-25/h8-9,11-16,18H,3-7,10,17H2,1-2H3