7-octoxy-3-(3-oxidanidylbenzotriazol-3-ium-1-yl)carbonyl-chromen-2-one

Systemtic Name: 7-octoxy-3-(3-oxidanidylbenzotriazol-3-ium-1-yl)carbonyl-chromen-2-one Openeye Name: 7-octoxy-3-(3-oxidobenzotriazol-3-ium-1-carbonyl)chromen-2-one CAS Name: 7-octoxy-3-[(3-oxido-1-benzotriazol-3-iumyl)-oxomethyl]-1-benzopyran-2-one IUPAC Name: 7-octoxy-3-(3-oxidobenzotriazol-3-ium-1-carbonyl)chromen-2-one Traditional Name: 7-octoxy-3-(3-oxidobenzotriazol-3-ium-1-carbonyl)coumarin Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)N3C4=CC=CC=C4[N+](=N3)[O-]

InChI

InChI=1S/C24H25N3O5/c1-2-3-4-5-6-9-14-31-18-13-12-17-15-19(24(29)32-22(17)16-18)23(28)26-20-10-7-8-11-21(20)27(30)25-26/h7-8,10-13,15-16H,2-6,9,14H2,1H3