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methyl sulfate; 2-(4-methyl-1,2,4-triazol-4-ium-1-yl)benzo[f]chromen-3-one

methyl sulfate; 2-(4-methyl-1,2,4-triazol-4-ium-1-yl)benzo[f]chromen-3-one

Systemtic Name:methyl sulfate; 2-(4-methyl-1,2,4-triazol-4-ium-1-yl)benzo[f]chromen-3-one
Openeye Name:methyl sulfate; 2-(4-methyl-1,2,4-triazol-4-ium-1-yl)benzo[f]chromen-3-one
CAS Name:methyl sulfate; 2-(4-methyl-1,2,4-triazol-4-ium-1-yl)-3-benzo[f][1]benzopyranone
IUPAC Name:methyl sulfate; 2-(4-methyl-1,2,4-triazol-4-ium-1-yl)benzo[f]chromen-3-one
Traditional Name:methyl sulfate; 2-(4-methyl-1,2,4-triazol-4-ium-1-yl)benzo[f]chromen-3-one
Formula: C17H15N3O6S
MolecularWeight: 389.3825
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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(N=C1)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O.COS(=O)(=O)[O-]


Isomeric SMILES

C[N+]1=CN(N=C1)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O.COS(=O)(=O)[O-]


InChI

InChI=1S/C16H12N3O2.CH4O4S/c1-18-9-17-19(10-18)14-8-13-12-5-3-2-4-11(12)6-7-15(13)21-16(14)20;1-5-6(2,3)4/h2-10H,1H3;1H3,(H,2,3,4)/q+1;/p-1


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