trisodium (6Z)-6-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-3-(phenoxymethylamino)naphthalene-2-sulfonate

Systemtic Name: trisodium (6Z)-6-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-7-oxidanidylperoxysulfanyl-5-oxidanylidene-3-(phenoxymethylamino)naphthalene-2-sulfonate Openeye Name: trisodium (6Z)-6-[(4-methyl-2-sulfonato-phenyl)hydrazono]-7-oxidoperoxysulfanyl-5-oxo-3-(phenoxymethylamino)naphthalene-2-sulfonate CAS Name: trisodium (6Z)-6-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-7-(oxidodioxythio)-5-oxo-3-(phenoxymethylamino)-2-naphthalenesulfonate IUPAC Name: trisodium (6Z)-6-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-7-oxidoperoxysulfanyl-5-oxo-3-(phenoxymethylamino)naphthalene-2-sulfonate Traditional Name: trisodium (6Z)-5-keto-6-[(4-methyl-2-sulfonato-phenyl)hydrazono]-7-(oxidoperoxythio)-3-(phenoxymethylamino)naphthalene-2-sulfonate Formula: C24H18N3Na3O11S3 MolecularWeight: 689.57753

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NN=C2C(=CC3=CC(=C(C=C3C2=O)NCOC4=CC=CC=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)N/N=C/2\C(=CC3=CC(=C(C=C3C2=O)NCOC4=CC=CC=C4)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C24H21N3O11S3.3Na/c1-14-7-8-18(21(9-14)40(30,31)32)26-27-23-20(39-38-37-29)10-15-11-22(41(33,34)35)19(12-17(15)24(23)28)25-13-36-16-5-3-2-4-6-16;;;/h2-12,25-26,29H,13H2,1H3,(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3/b27-23+;;;