3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate

Systemtic Name: 3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate Openeye Name: 3-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate CAS Name: 3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]-1-propanesulfonate IUPAC Name: 3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate Traditional Name: 3-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonate Formula: C11H12NO4S3- MolecularWeight: 318.41228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)COCCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)COCCCS(=O)(=O)[O-]

InChI

InChI=1S/C11H13NO4S3/c13-19(14,15)7-3-6-16-8-12-9-4-1-2-5-10(9)18-11(12)17/h1-2,4-5H,3,6-8H2,(H,13,14,15)/p-1