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methanesulfonate; 1,2,3-trimethylbenzo[f]benzimidazol-3-ium-4,9-dione

methanesulfonate; 1,2,3-trimethylbenzo[f]benzimidazol-3-ium-4,9-dione

Systemtic Name:methanesulfonate; 1,2,3-trimethylbenzo[f]benzimidazol-3-ium-4,9-dione
Openeye Name:methanesulfonate; 1,2,3-trimethylbenzo[f]benzimidazol-3-ium-4,9-dione
CAS Name:methanesulfonate; 1,2,3-trimethylbenzo[f]benzimidazol-3-ium-4,9-dione
IUPAC Name:methanesulfonate; 1,2,3-trimethylbenzo[f]benzimidazol-3-ium-4,9-dione
Traditional Name:1,2,3-trimethylbenzo[f]benzimidazol-3-ium-4,9-quinone mesylate
Formula: C15H16N2O5S
MolecularWeight: 336.36294
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1C)C(=O)C3=CC=CC=C3C2=O)C.CS(=O)(=O)[O-]


Isomeric SMILES

CC1=[N+](C2=C(N1C)C(=O)C3=CC=CC=C3C2=O)C.CS(=O)(=O)[O-]


InChI

InChI=1S/C14H13N2O2.CH4O3S/c1-8-15(2)11-12(16(8)3)14(18)10-7-5-4-6-9(10)13(11)17;1-5(2,3)4/h4-7H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


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