1-(1,3-benzothiazol-2-yl)-3-sulfanylidene-propane-1-sulfonic acid

Systemtic Name: 1-(1,3-benzothiazol-2-yl)-3-sulfanylidene-propane-1-sulfonic acid Openeye Name: 1-(1,3-benzothiazol-2-yl)-3-thioxo-propane-1-sulfonic acid CAS Name: 1-(1,3-benzothiazol-2-yl)-3-sulfanylidene-1-propanesulfonic acid IUPAC Name: 1-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropane-1-sulfonic acid Traditional Name: 1-(1,3-benzothiazol-2-yl)-3-thioxo-propane-1-sulfonic acid Formula: C10H9NO3S3 MolecularWeight: 287.37836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO3S3/c12-17(13,14)9(5-6-15)10-11-7-3-1-2-4-8(7)16-10/h1-4,6,9H,5H2,(H,12,13,14)