2-[2,5-bis(oxidanyl)phenyl]sulfanyl-1,3-benzothiazole-5-sulfonic acid

Systemtic Name: 2-[2,5-bis(oxidanyl)phenyl]sulfanyl-1,3-benzothiazole-5-sulfonic acid Openeye Name: 2-(2,5-dihydroxyphenyl)sulfanyl-1,3-benzothiazole-5-sulfonic acid CAS Name: 2-[(2,5-dihydroxyphenyl)thio]-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 2-(2,5-dihydroxyphenyl)sulfanyl-1,3-benzothiazole-5-sulfonic acid Traditional Name: 2-[(2,5-dihydroxyphenyl)thio]-1,3-benzothiazole-5-sulfonic acid Formula: C13H9NO5S3 MolecularWeight: 355.40926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)SC2=NC3=C(S2)C=CC(=C3)S(=O)(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1O)SC2=NC3=C(S2)C=CC(=C3)S(=O)(=O)O)O

InChI

InChI=1S/C13H9NO5S3/c15-7-1-3-10(16)12(5-7)21-13-14-9-6-8(22(17,18)19)2-4-11(9)20-13/h1-6,15-16H,(H,17,18,19)