trisodium 8-[(4-tert-butyl-3-nitro-phenyl)carbonylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate

Systemtic Name: trisodium 8-[(4-tert-butyl-3-nitro-phenyl)carbonylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate Openeye Name: trisodium 8-[(4-tert-butyl-3-nitro-benzoyl)amino]-3-oxidoperoxysulfanyl-naphthalene-1,5-disulfonate CAS Name: trisodium 8-[[(4-tert-butyl-3-nitrophenyl)-oxomethyl]amino]-3-(oxidodioxythio)naphthalene-1,5-disulfonate IUPAC Name: trisodium 8-[(4-tert-butyl-3-nitrobenzoyl)amino]-3-oxidoperoxysulfanylnaphthalene-1,5-disulfonate Traditional Name: trisodium 8-[(4-tert-butyl-3-nitro-benzoyl)amino]-3-(oxidoperoxythio)naphthalene-1,5-disulfonate Formula: C21H17N2Na3O12S3 MolecularWeight: 654.53019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C21H20N2O12S3.3Na/c1-21(2,3)14-5-4-11(8-16(14)23(25)26)20(24)22-15-6-7-17(37(28,29)30)13-9-12(36-35-34-27)10-18(19(13)15)38(31,32)33;;;/h4-10,27H,1-3H3,(H,22,24)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3