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2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium

2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium

Systemtic Name:2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium
Openeye Name:2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium
CAS Name:2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium
IUPAC Name:2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium
Traditional Name:2,3-dimethyl-6-nitro-1,3-benzothiazol-3-ium
Formula: C9H9N2O2S+
MolecularWeight: 209.24496
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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C=C2)[N+](=O)[O-])C


Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C=C2)[N+](=O)[O-])C


InChI

InChI=1S/C9H9N2O2S/c1-6-10(2)8-4-3-7(11(12)13)5-9(8)14-6/h3-5H,1-2H3/q+1


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