trisodium 4-[[4-[(6-oxidanidylperoxysulfanylnaphthalen-2-yl)sulfonylamino]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonate

Systemtic Name: trisodium 4-[[4-[(6-oxidanidylperoxysulfanylnaphthalen-2-yl)sulfonylamino]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonate Openeye Name: trisodium 4-hydroxy-5-[[4-[(6-oxidoperoxysulfanyl-2-naphthyl)sulfonylamino]benzoyl]amino]naphthalene-2,7-disulfonate CAS Name: trisodium 4-hydroxy-5-[[[4-[[6-(oxidodioxythio)-2-naphthalenyl]sulfonylamino]phenyl]-oxomethyl]amino]naphthalene-2,7-disulfonate IUPAC Name: trisodium 4-hydroxy-5-[[4-[(6-oxidoperoxysulfanylnaphthalen-2-yl)sulfonylamino]benzoyl]amino]naphthalene-2,7-disulfonate Traditional Name: trisodium 4-hydroxy-5-[[4-[[6-(oxidoperoxythio)-2-naphthyl]sulfonylamino]benzoyl]amino]naphthalene-2,7-disulfonate Formula: C27H17N2Na3O13S4 MolecularWeight: 774.65879

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H20N2O13S4.3Na/c30-25-14-23(46(38,39)40)12-18-11-22(45(35,36)37)13-24(26(18)25)28-27(31)15-1-5-19(6-2-15)29-44(33,34)21-8-4-16-9-20(43-42-41-32)7-3-17(16)10-21;;;/h1-14,29-30,32H,(H,28,31)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3