trisodium (6E)-7-oxidanidylperoxysulfanyl-5-oxidanylidene-4-(phenoxymethylamino)-6-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate

Systemtic Name: trisodium (6E)-7-oxidanidylperoxysulfanyl-5-oxidanylidene-4-(phenoxymethylamino)-6-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Openeye Name: trisodium (6E)-7-oxidoperoxysulfanyl-5-oxo-4-(phenoxymethylamino)-6-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate CAS Name: trisodium (6E)-7-(oxidodioxythio)-5-oxo-4-(phenoxymethylamino)-6-[(1-sulfonato-2-naphthalenyl)hydrazinylidene]-2-naphthalenesulfonate IUPAC Name: trisodium (6E)-7-oxidoperoxysulfanyl-5-oxo-4-(phenoxymethylamino)-6-[(1-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate Traditional Name: trisodium (6E)-5-keto-7-(oxidoperoxythio)-4-(phenoxymethylamino)-6-[(1-sulfonato-2-naphthyl)hydrazono]naphthalene-2-sulfonate Formula: C27H18N3Na3O11S3 MolecularWeight: 725.60963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCNC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C(=NNC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)[O-])C3=O)SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)OCNC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(/C(=N/NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)[O-])/C3=O)SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C27H21N3O11S3.3Na/c31-26-24-17(12-19(43(33,34)35)14-22(24)28-15-39-18-7-2-1-3-8-18)13-23(42-41-40-32)25(26)30-29-21-11-10-16-6-4-5-9-20(16)27(21)44(36,37)38;;;/h1-14,28-29,32H,15H2,(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/b30-25-;;;