2-ethylsulfonyl-1,3-benzothiazole-5-sulfonic acid

Systemtic Name: 2-ethylsulfonyl-1,3-benzothiazole-5-sulfonic acid Openeye Name: 2-ethylsulfonyl-1,3-benzothiazole-5-sulfonic acid CAS Name: 2-ethylsulfonyl-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 2-ethylsulfonyl-1,3-benzothiazole-5-sulfonic acid Traditional Name: 2-esyl-1,3-benzothiazole-5-sulfonic acid Formula: C9H9NO5S3 MolecularWeight: 307.36646

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC2=C(S1)C=CC(=C2)S(=O)(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=NC2=C(S1)C=CC(=C2)S(=O)(=O)O

InChI

InChI=1S/C9H9NO5S3/c1-2-17(11,12)9-10-7-5-6(18(13,14)15)3-4-8(7)16-9/h3-5H,2H2,1H3,(H,13,14,15)