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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)propane-1-sulfonic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)propane-1-sulfonic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-1-propanesulfonic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)propane-1-sulfonic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)propane-1-sulfonic acid Formula: C10H11NO3S2 MolecularWeight: 257.32924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO3S2/c12-16(13,14)7-3-6-10-11-8-4-1-2-5-9(8)15-10/h1-2,4-5H,3,6-7H2,(H,12,13,14)