benzenesulfonate; 7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)chromen-2-one

Systemtic Name: benzenesulfonate; 7-(4-methyl-5-phenyl-1,2,3-triazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)chromen-2-one Openeye Name: benzenesulfonate; 7-(4-methyl-5-phenyl-triazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)chromen-2-one CAS Name: benzenesulfonate; 7-(4-methyl-5-phenyl-2-triazolyl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)-1-benzopyran-2-one IUPAC Name: benzenesulfonate; 7-(4-methyl-5-phenyltriazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)chromen-2-one Traditional Name: 7-(4-methyl-5-phenyl-triazol-2-yl)-3-(1-methyl-1,2,4-triazol-4-ium-4-yl)coumarin besylate Formula: C27H22N6O5S MolecularWeight: 542.56578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)[N+]5=CN(N=C5)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=NN(N=C1C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C(=O)O4)[N+]5=CN(N=C5)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H17N6O2.C6H6O3S/c1-14-20(15-6-4-3-5-7-15)24-27(23-14)17-9-8-16-10-18(21(28)29-19(16)11-17)26-12-22-25(2)13-26;7-10(8,9)6-4-2-1-3-5-6/h3-13H,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1