(3-methyl-5-octyl-1-benzofuran-2-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: (3-methyl-5-octyl-1-benzofuran-2-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: (3-methyl-5-octyl-benzofuran-2-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: (3-methyl-5-octyl-2-benzofuranyl)-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: (3-methyl-5-octyl-1-benzofuran-2-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: (3-methyl-5-octyl-benzofuran-2-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)OC(=C2C)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C24H27N3O3/c1-3-4-5-6-7-8-11-18-14-15-22-19(16-18)17(2)23(30-22)24(28)26-20-12-9-10-13-21(20)27(29)25-26/h9-10,12-16H,3-8,11H2,1-2H3