2-(2H-1,3-benzothiazol-3-yl)ethanesulfonate

Systemtic Name: 2-(2H-1,3-benzothiazol-3-yl)ethanesulfonate Openeye Name: 2-(2H-1,3-benzothiazol-3-yl)ethanesulfonate CAS Name: 2-(2H-1,3-benzothiazol-3-yl)ethanesulfonate IUPAC Name: 2-(2H-1,3-benzothiazol-3-yl)ethanesulfonate Traditional Name: 2-(2H-1,3-benzothiazol-3-yl)ethanesulfonate Formula: C9H10NO3S2- MolecularWeight: 244.3106

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C2=CC=CC=C2S1)CCS(=O)(=O)[O-]

Isomeric SMILES

C1N(C2=CC=CC=C2S1)CCS(=O)(=O)[O-]

InChI

InChI=1S/C9H11NO3S2/c11-15(12,13)6-5-10-7-14-9-4-2-1-3-8(9)10/h1-4H,5-7H2,(H,11,12,13)/p-1