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

Systemtic Name: 2-methyl-2-(4-octoxyphenoxy)-1-(3-oxidanidylbenzotriazol-3-ium-1-yl)propan-1-one Openeye Name: 2-methyl-2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one CAS Name: 2-methyl-2-(4-octoxyphenoxy)-1-(3-oxido-1-benzotriazol-3-iumyl)-1-propanone IUPAC Name: 2-methyl-2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one Traditional Name: 2-methyl-2-(4-octoxyphenoxy)-1-(3-oxidobenzotriazol-3-ium-1-yl)propan-1-one Formula: C24H31N3O4 MolecularWeight: 425.52064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O4/c1-4-5-6-7-8-11-18-30-19-14-16-20(17-15-19)31-24(2,3)23(28)26-21-12-9-10-13-22(21)27(29)25-26/h9-10,12-17H,4-8,11,18H2,1-3H3