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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-sulfanyl-propane-1-sulfonic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-sulfanyl-propane-1-sulfonic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-2-mercapto-1-propanesulfonic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-sulfanylpropane-1-sulfonic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-mercapto-propane-1-sulfonic acid Formula: C10H11NO3S3 MolecularWeight: 289.39424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO3S3/c12-17(13,14)6-7(15)5-10-11-8-3-1-2-4-9(8)16-10/h1-4,7,15H,5-6H2,(H,12,13,14)