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benzo[f][1,3]benzothiazol-3-ium; methyl sulfate

benzo[f][1,3]benzothiazol-3-ium; methyl sulfate

Systemtic Name:benzo[f][1,3]benzothiazol-3-ium; methyl sulfate
Openeye Name:benzo[f][1,3]benzothiazol-3-ium; methyl sulfate
CAS Name:benzo[f][1,3]benzothiazol-3-ium; methyl sulfate
IUPAC Name:benzo[f][1,3]benzothiazol-3-ium; methyl sulfate
Traditional Name:benzo[f][1,3]benzothiazol-3-ium; methyl sulfate
Formula: C12H11NO4S2
MolecularWeight: 297.35004
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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)[O-].C1=CC=C2C=C3C(=CC2=C1)[NH+]=CS3


Isomeric SMILES

COS(=O)(=O)[O-].C1=CC=C2C=C3C(=CC2=C1)[NH+]=CS3


InChI

InChI=1S/C11H7NS.CH4O4S/c1-2-4-9-6-11-10(12-7-13-11)5-8(9)3-1;1-5-6(2,3)4/h1-7H;1H3,(H,2,3,4)


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