[4-[4-(8-methoxyoctoxy)phenyl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [4-[4-(8-methoxyoctoxy)phenyl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-[4-(8-methoxyoctoxy)phenyl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-[4-(8-methoxyoctoxy)phenyl]phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-[4-(8-methoxyoctoxy)phenyl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-[4-(8-methoxyoctoxy)phenyl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

COCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C28H31N3O4/c1-34-20-8-4-2-3-5-9-21-35-25-18-16-23(17-19-25)22-12-14-24(15-13-22)28(32)30-26-10-6-7-11-27(26)31(33)29-30/h6-7,10-19H,2-5,8-9,20-21H2,1H3