2-[[5-(trioxidanylsulfanyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-sulfonic acid

Systemtic Name: 2-[[5-(trioxidanylsulfanyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-sulfonic acid Openeye Name: 2-[[5-(trioxidanylsulfanyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-sulfonic acid CAS Name: 2-[[5-(trioxidanylthio)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-sulfonic acid IUPAC Name: 2-[[5-(trioxidanylsulfanyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-sulfonic acid Traditional Name: 2-[[5-(trioxidanylthio)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-sulfonic acid Formula: C14H8N2O6S6 MolecularWeight: 492.61312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1SOOO)N=C(S2)SSC3=NC4=C(S3)C=CC(=C4)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C1SOOO)N=C(S2)SSC3=NC4=C(S3)C=CC(=C4)S(=O)(=O)O

InChI

InChI=1S/C14H8N2O6S6/c17-21-22-25-7-1-3-11-9(5-7)15-13(23-11)26-27-14-16-10-6-8(28(18,19)20)2-4-12(10)24-14/h1-6,17H,(H,18,19,20)