(3,4-dipentoxyphenyl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: (3,4-dipentoxyphenyl)-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: (3,4-dipentoxyphenyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: (3,4-dipentoxyphenyl)-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: (3,4-dipentoxyphenyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: (3,4-diamoxyphenyl)-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-])OCCCCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C(=O)N2C3=CC=CC=C3[N+](=N2)[O-])OCCCCC

InChI

InChI=1S/C23H29N3O4/c1-3-5-9-15-29-21-14-13-18(17-22(21)30-16-10-6-4-2)23(27)25-19-11-7-8-12-20(19)26(28)24-25/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3