[4-(4-octan-4-yloxyphenoxy)-3-oxidanidyl-benzotriazol-3-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-(4-octan-4-yloxyphenoxy)-3-oxidanidyl-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [3-oxido-4-[4-(1-propylpentoxy)phenoxy]benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [4-(4-octan-4-yloxyphenoxy)-3-oxido-1-benzotriazol-3-iumyl]-phenylmethanone IUPAC Name: [4-(4-octan-4-yloxyphenoxy)-3-oxidobenzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [3-oxido-4-[4-(1-propylpentoxy)phenoxy]benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCC)OC1=CC=C(C=C1)OC2=CC=CC3=C2[N+](=NN3C(=O)C4=CC=CC=C4)[O-]

Isomeric SMILES

CCCCC(CCC)OC1=CC=C(C=C1)OC2=CC=CC3=C2[N+](=NN3C(=O)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H29N3O4/c1-3-5-13-21(10-4-2)33-22-16-18-23(19-17-22)34-25-15-9-14-24-26(25)30(32)28-29(24)27(31)20-11-7-6-8-12-20/h6-9,11-12,14-19,21H,3-5,10,13H2,1-2H3