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

Systemtic Name: 1-(2-methyl-3-oxidanidyl-benzotriazol-3-ium-4-yl)-2-(4-octoxyphenoxy)propan-1-one Openeye Name: 1-(2-methyl-3-oxido-benzotriazol-3-ium-4-yl)-2-(4-octoxyphenoxy)propan-1-one CAS Name: 1-(2-methyl-3-oxido-4-benzotriazol-3-iumyl)-2-(4-octoxyphenoxy)-1-propanone IUPAC Name: 1-(2-methyl-3-oxidobenzotriazol-3-ium-4-yl)-2-(4-octoxyphenoxy)propan-1-one Traditional Name: 1-(2-methyl-3-oxido-benzotriazol-3-ium-4-yl)-2-(4-octoxyphenoxy)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(=O)C2=CC=CC3=NN([N+](=C32)[O-])C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)OC(C)C(=O)C2=CC=CC3=NN([N+](=C32)[O-])C

InChI

InChI=1S/C24H31N3O4/c1-4-5-6-7-8-9-17-30-19-13-15-20(16-14-19)31-18(2)24(28)21-11-10-12-22-23(21)27(29)26(3)25-22/h10-16,18H,4-9,17H2,1-3H3