2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(trioxidanylsulfanyl)-1,3-benzothiazole

Systemtic Name: 2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(trioxidanylsulfanyl)-1,3-benzothiazole Openeye Name: 2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(trioxidanylsulfanyl)-1,3-benzothiazole CAS Name: 2-[(4-methylsulfinylphenyl)disulfanyl]-1,3-benzothiazole-5,6-disulfenic acid dihydroperoxy ester IUPAC Name: 2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(trioxidanylsulfanyl)-1,3-benzothiazole Traditional Name: 2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(trioxidanylthio)-1,3-benzothiazole Formula: C14H11NO7S6 MolecularWeight: 497.62964

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)SSC2=NC3=CC(=C(C=C3S2)SOOO)SOOO

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)SSC2=NC3=CC(=C(C=C3S2)SOOO)SOOO

InChI

InChI=1S/C14H11NO7S6/c1-28(18)9-4-2-8(3-5-9)26-27-14-15-10-6-12(24-21-19-16)13(25-22-20-17)7-11(10)23-14/h2-7,16-17H,1H3