trisodium 3-oxidanidylperoxysulfanyl-8-[(2,4,6-trimethyl-3-nitro-phenyl)carbonylamino]naphthalene-1,5-disulfonate

Systemtic Name: trisodium 3-oxidanidylperoxysulfanyl-8-[(2,4,6-trimethyl-3-nitro-phenyl)carbonylamino]naphthalene-1,5-disulfonate Openeye Name: trisodium 3-oxidoperoxysulfanyl-8-[(2,4,6-trimethyl-3-nitro-benzoyl)amino]naphthalene-1,5-disulfonate CAS Name: trisodium 3-(oxidodioxythio)-8-[[oxo-(2,4,6-trimethyl-3-nitrophenyl)methyl]amino]naphthalene-1,5-disulfonate IUPAC Name: trisodium 3-oxidoperoxysulfanyl-8-[(2,4,6-trimethyl-3-nitrobenzoyl)amino]naphthalene-1,5-disulfonate Traditional Name: trisodium 3-(oxidoperoxythio)-8-[(2,4,6-trimethyl-3-nitro-benzoyl)amino]naphthalene-1,5-disulfonate Formula: C20H15N2Na3O12S3 MolecularWeight: 640.50361

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])C)[N+](=O)[O-])C.[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])C)[N+](=O)[O-])C.[Na+].[Na+].[Na+]

InChI

InChI=1S/C20H18N2O12S3.3Na/c1-9-6-10(2)19(22(24)25)11(3)17(9)20(23)21-14-4-5-15(36(27,28)29)13-7-12(35-34-33-26)8-16(18(13)14)37(30,31)32;;;/h4-8,26H,1-3H3,(H,21,23)(H,27,28,29)(H,30,31,32);;;/q;3*+1/p-3