2-[[5-(dioxidanylmethyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-carboxylic acid

Systemtic Name: 2-[[5-(dioxidanylmethyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-carboxylic acid Openeye Name: 2-[[5-(hydroperoxymethyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-carboxylic acid CAS Name: 2-[[5-(hydroperoxymethyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-carboxylic acid IUPAC Name: 2-[[5-(hydroperoxymethyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-carboxylic acid Traditional Name: 2-[[5-(hydroperoxymethyl)-1,3-benzothiazol-2-yl]disulfanyl]-1,3-benzothiazole-5-carboxylic acid Formula: C16H10N2O4S4 MolecularWeight: 422.5216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1COO)N=C(S2)SSC3=NC4=C(S3)C=CC(=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1COO)N=C(S2)SSC3=NC4=C(S3)C=CC(=C4)C(=O)O

InChI

InChI=1S/C16H10N2O4S4/c19-14(20)9-2-4-13-11(6-9)18-16(24-13)26-25-15-17-10-5-8(7-22-21)1-3-12(10)23-15/h1-6,21H,7H2,(H,19,20)