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

Systemtic Name: disodium 2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(oxidanidylperoxysulfanyl)-1,3-benzothiazole Openeye Name: disodium 2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(oxidoperoxysulfanyl)-1,3-benzothiazole CAS Name: disodium 2-[(4-methylsulfinylphenyl)disulfanyl]-1,3-benzothiazole-5,6-disulfenic acid dioxidooxy ester IUPAC Name: disodium 2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(oxidoperoxysulfanyl)-1,3-benzothiazole Traditional Name: disodium 2-[(4-methylsulfinylphenyl)disulfanyl]-5,6-bis(oxidoperoxythio)-1,3-benzothiazole Formula: C14H9NNa2O7S6 MolecularWeight: 541.5933

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC=C(C=C1)SSC2=NC3=CC(=C(C=C3S2)SOO[O-])SOO[O-].[Na+].[Na+]

Isomeric SMILES

CS(=O)C1=CC=C(C=C1)SSC2=NC3=CC(=C(C=C3S2)SOO[O-])SOO[O-].[Na+].[Na+]

InChI

InChI=1S/C14H11NO7S6.2Na/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;;/q;2*+1/p-2