sodium 1-methoxy-2-nitro-4-(sulfonatosulfanylmethyl)benzene

Systemtic Name: sodium 1-methoxy-2-nitro-4-(sulfonatosulfanylmethyl)benzene Openeye Name: sodium 1-methoxy-2-nitro-4-(sulfonatosulfanylmethyl)benzene CAS Name: sodium 1-methoxy-2-nitro-4-[(sulfonatothio)methyl]benzene IUPAC Name: sodium 1-methoxy-2-nitro-4-(sulfonatosulfanylmethyl)benzene Traditional Name: sodium 1-methoxy-2-nitro-4-[(sulfonatothio)methyl]benzene Formula: C8H8NNaO6S2 MolecularWeight: 301.27199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)CSS(=O)(=O)[O-])[N+](=O)[O-].[Na+]

InChI

InChI=1S/C8H9NO6S2.Na/c1-15-8-3-2-6(4-7(8)9(10)11)5-16-17(12,13)14;/h2-4H,5H2,1H3,(H,12,13,14);/q;+1/p-1