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

Systemtic Name: trisodium 8-[[4-(2-aminophenyl)phenyl]carbonylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate Openeye Name: trisodium 8-[[4-(2-aminophenyl)benzoyl]amino]-3-oxidoperoxysulfanyl-naphthalene-1,5-disulfonate CAS Name: trisodium 8-[[[4-(2-aminophenyl)phenyl]-oxomethyl]amino]-3-(oxidodioxythio)naphthalene-1,5-disulfonate IUPAC Name: trisodium 8-[[4-(2-aminophenyl)benzoyl]amino]-3-oxidoperoxysulfanylnaphthalene-1,5-disulfonate Traditional Name: trisodium 8-[[4-(2-aminophenyl)benzoyl]amino]-3-(oxidoperoxythio)naphthalene-1,5-disulfonate Formula: C23H15N2Na3O10S3 MolecularWeight: 644.53691

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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.[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.[Na+].[Na+].[Na+]

InChI

InChI=1S/C23H18N2O10S3.3Na/c24-18-4-2-1-3-16(18)13-5-7-14(8-6-13)23(26)25-19-9-10-20(37(28,29)30)17-11-15(36-35-34-27)12-21(22(17)19)38(31,32)33;;;/h1-12,27H,24H2,(H,25,26)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3