7-(4-ethyl-5-methyl-1,2,3-triazol-2-yl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)chromen-2-one sulfate

Systemtic Name: 7-(4-ethyl-5-methyl-1,2,3-triazol-2-yl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)chromen-2-one sulfate Openeye Name: 7-(4-ethyl-5-methyl-triazol-2-yl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)chromen-2-one sulfate CAS Name: 7-(4-ethyl-5-methyl-2-triazolyl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)-1-benzopyran-2-one sulfate IUPAC Name: 7-(4-ethyl-5-methyltriazol-2-yl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)chromen-2-one sulfate Traditional Name: 7-(4-ethyl-5-methyl-triazol-2-yl)-3-(4-methyl-1,2,4-triazol-4-ium-1-yl)coumarin sulfate Formula: C34H34N12O8S MolecularWeight: 770.77436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(N=C1C)C2=CC3=C(C=C2)C=C(C(=O)O3)N4C=[N+](C=N4)C.CCC1=NN(N=C1C)C2=CC3=C(C=C2)C=C(C(=O)O3)N4C=[N+](C=N4)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCC1=NN(N=C1C)C2=CC3=C(C=C2)C=C(C(=O)O3)N4C=[N+](C=N4)C.CCC1=NN(N=C1C)C2=CC3=C(C=C2)C=C(C(=O)O3)N4C=[N+](C=N4)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C17H17N6O2.H2O4S/c2*1-4-14-11(2)19-23(20-14)13-6-5-12-7-15(17(24)25-16(12)8-13)22-10-21(3)9-18-22;1-5(2,3)4/h2*5-10H,4H2,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2