2-oxidanyl-3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonic acid

Systemtic Name: 2-oxidanyl-3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[(2-thioxo-1,3-benzothiazol-3-yl)methoxy]propane-1-sulfonic acid Formula: C11H13NO5S3 MolecularWeight: 335.41962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)COCC(CS(=O)(=O)O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)COCC(CS(=O)(=O)O)O

InChI

InChI=1S/C11H13NO5S3/c13-8(6-20(14,15)16)5-17-7-12-9-3-1-2-4-10(9)19-11(12)18/h1-4,8,13H,5-7H2,(H,14,15,16)