(2-nonyl-1,3-benzoxazol-5-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: (2-nonyl-1,3-benzoxazol-5-yl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: (2-nonyl-1,3-benzoxazol-5-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: (2-nonyl-1,3-benzoxazol-5-yl)-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: (2-nonyl-1,3-benzoxazol-5-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: (2-nonyl-1,3-benzoxazol-5-yl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCCC1=NC2=C(O1)C=CC(=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C23H26N4O3/c1-2-3-4-5-6-7-8-13-22-24-18-16-17(14-15-21(18)30-22)23(28)26-19-11-9-10-12-20(19)27(29)25-26/h9-12,14-16H,2-8,13H2,1H3