tetrasodium 3-nitro-1,2,4,5-tetrakis(sulfonatosulfanylmethyl)benzene

Systemtic Name: tetrasodium 3-nitro-1,2,4,5-tetrakis(sulfonatosulfanylmethyl)benzene Openeye Name: tetrasodium 3-nitro-1,2,4,5-tetrakis(sulfonatosulfanylmethyl)benzene CAS Name: tetrasodium 3-nitro-1,2,4,5-tetrakis[(sulfonatothio)methyl]benzene IUPAC Name: tetrasodium 3-nitro-1,2,4,5-tetrakis(sulfonatosulfanylmethyl)benzene Traditional Name: tetrasodium 3-nitro-1,2,4,5-tetrakis[(sulfonatothio)methyl]benzene Formula: C10H9NNa4O14S8 MolecularWeight: 715.65584

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1CSS(=O)(=O)[O-])CSS(=O)(=O)[O-])[N+](=O)[O-])CSS(=O)(=O)[O-])CSS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=C(C(=C(C(=C1CSS(=O)(=O)[O-])CSS(=O)(=O)[O-])[N+](=O)[O-])CSS(=O)(=O)[O-])CSS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H13NO14S8.4Na/c12-11(13)10-8(4-28-32(20,21)22)6(2-26-30(14,15)16)1-7(3-27-31(17,18)19)9(10)5-29-33(23,24)25;;;;/h1H,2-5H2,(H,14,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25);;;;/q;4*+1/p-4