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

Systemtic Name: trisodium 8-[[4-(2-nitrophenyl)phenyl]carbonylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate Openeye Name: trisodium 8-[[4-(2-nitrophenyl)benzoyl]amino]-3-oxidoperoxysulfanyl-naphthalene-1,5-disulfonate CAS Name: trisodium 8-[[[4-(2-nitrophenyl)phenyl]-oxomethyl]amino]-3-(oxidodioxythio)naphthalene-1,5-disulfonate IUPAC Name: trisodium 8-[[4-(2-nitrophenyl)benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1,5-disulfonate Traditional Name: trisodium 8-[[4-(2-nitrophenyl)benzoyl]amino]-3-(oxidoperoxythio)naphthalene-1,5-disulfonate Formula: C23H13N2Na3O12S3 MolecularWeight: 674.51983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])[N+](=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H16N2O12S3.3Na/c26-23(14-7-5-13(6-8-14)16-3-1-2-4-19(16)25(27)28)24-18-9-10-20(39(30,31)32)17-11-15(38-37-36-29)12-21(22(17)18)40(33,34)35;;;/h1-12,29H,(H,24,26)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3