disodium [[2-methoxy-4-[(3-oxidanidylperoxysulfanylphenyl)diazenyl]phenyl]amino]methanesulfonate

Systemtic Name: disodium [[2-methoxy-4-[(3-oxidanidylperoxysulfanylphenyl)diazenyl]phenyl]amino]methanesulfonate Openeye Name: disodium [2-methoxy-4-(3-oxidoperoxysulfanylphenyl)azo-anilino]methanesulfonate CAS Name: disodium [2-methoxy-4-[3-(oxidodioxythio)phenyl]azoanilino]methanesulfonate IUPAC Name: disodium [2-methoxy-4-[(3-oxidoperoxysulfanylphenyl)diazenyl]anilino]methanesulfonate Traditional Name: disodium [2-methoxy-4-[3-(oxidoperoxythio)phenyl]azo-anilino]methanesulfonate Formula: C14H13N3Na2O7S2 MolecularWeight: 445.37846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)SOO[O-])NCS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)SOO[O-])NCS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C14H15N3O7S2.2Na/c1-22-14-8-11(5-6-13(14)15-9-26(19,20)21)17-16-10-3-2-4-12(7-10)25-24-23-18;;/h2-8,15,18H,9H2,1H3,(H,19,20,21);;/q;2*+1/p-2