3-[(2Z)-2-(oxidanylmethylidene)-3H-1,3-benzothiazol-4-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-(oxidanylmethylidene)-3H-1,3-benzothiazol-4-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-(hydroxymethylene)-3H-1,3-benzothiazol-4-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-(hydroxymethylidene)-3H-1,3-benzothiazol-4-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-(hydroxymethylidene)-3H-1,3-benzothiazol-4-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-(hydroxymethylene)-3H-1,3-benzothiazol-4-yl]propane-1-sulfonic acid Formula: C11H13NO4S2 MolecularWeight: 287.35522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC(=CO)N2)CCCS(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C(=C1)S/C(=C\O)/N2)CCCS(=O)(=O)O

InChI

InChI=1S/C11H13NO4S2/c13-7-10-12-11-8(3-1-5-9(11)17-10)4-2-6-18(14,15)16/h1,3,5,7,12-13H,2,4,6H2,(H,14,15,16)/b10-7-