[2-(4-hexoxyphenyl)-1,3-benzoxazol-5-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [2-(4-hexoxyphenyl)-1,3-benzoxazol-5-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [2-(4-hexoxyphenyl)-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [2-(4-hexoxyphenyl)-1,3-benzoxazol-5-yl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [2-(4-hexoxyphenyl)-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [2-(4-hexoxyphenyl)-1,3-benzoxazol-5-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C26H24N4O4/c1-2-3-4-7-16-33-20-13-10-18(11-14-20)25-27-21-17-19(12-15-24(21)34-25)26(31)29-22-8-5-6-9-23(22)30(32)28-29/h5-6,8-15,17H,2-4,7,16H2,1H3