[2-(6-octoxypyridin-3-yl)-1,3-benzoxazol-5-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [2-(6-octoxypyridin-3-yl)-1,3-benzoxazol-5-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [2-(6-octoxy-3-pyridyl)-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [2-(6-octoxy-3-pyridinyl)-1,3-benzoxazol-5-yl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [2-(6-octoxypyridin-3-yl)-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [2-(6-octoxy-3-pyridyl)-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C27H27N5O4 MolecularWeight: 485.53438

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C27H27N5O4/c1-2-3-4-5-6-9-16-35-25-15-13-20(18-28-25)26-29-21-17-19(12-14-24(21)36-26)27(33)31-22-10-7-8-11-23(22)32(34)30-31/h7-8,10-15,17-18H,2-6,9,16H2,1H3