[(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]methanesulfinoperoxoate

Systemtic Name: [(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]methanesulfinoperoxoate Openeye Name: [(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]methanesulfinoperoxoate CAS Name: [(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]methanesulfinoperoxoate IUPAC Name: [(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]methanesulfinoperoxoate Traditional Name: [(2Z)-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)imino]-1,3-benzothiazol-3-yl]methanesulfinoperoxoate Formula: C16H13N3O3S3 MolecularWeight: 391.48772

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)N=C3N(C4=CC=CC=C4S3)CS(=O)O[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/N=C\3/N(C4=CC=CC=C4S3)CS(=O)O[O-]

InChI

InChI=1S/C16H13N3O3S3/c1-18-11-6-2-4-8-13(11)23-15(18)17-16-19(10-25(21)22-20)12-7-3-5-9-14(12)24-16/h2-9H,10H2,1H3