trisodium 8-[(3-aminophenyl)methylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,6-disulfonate

Systemtic Name: trisodium 8-[(3-aminophenyl)methylamino]-3-oxidanidylperoxysulfanyl-naphthalene-1,6-disulfonate Openeye Name: trisodium 8-[(3-aminophenyl)methylamino]-3-oxidoperoxysulfanyl-naphthalene-1,6-disulfonate CAS Name: trisodium 8-[(3-aminophenyl)methylamino]-3-(oxidodioxythio)naphthalene-1,6-disulfonate IUPAC Name: trisodium 8-[(3-aminophenyl)methylamino]-3-oxidoperoxysulfanylnaphthalene-1,6-disulfonate Traditional Name: trisodium 8-[(3-aminobenzyl)amino]-3-(oxidoperoxythio)naphthalene-1,6-disulfonate Formula: C17H13N2Na3O9S3 MolecularWeight: 554.45743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)CNC2=CC(=CC3=CC(=CC(=C32)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)N)CNC2=CC(=CC3=CC(=CC(=C32)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C17H16N2O9S3.3Na/c18-12-3-1-2-10(4-12)9-19-15-8-14(30(21,22)23)6-11-5-13(29-28-27-20)7-16(17(11)15)31(24,25)26;;;/h1-8,19-20H,9,18H2,(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3