trisodium (3E)-3-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-6-(phenoxymethylamino)-7-sulfonato-naphthalene-2-carboperoxoate

Systemtic Name: trisodium (3E)-3-[(4-methyl-2-sulfonato-phenyl)hydrazinylidene]-4-oxidanylidene-6-(phenoxymethylamino)-7-sulfonato-naphthalene-2-carboperoxoate Openeye Name: trisodium (3E)-3-[(4-methyl-2-sulfonato-phenyl)hydrazono]-4-oxo-6-(phenoxymethylamino)-7-sulfonato-naphthalene-2-carboperoxoate CAS Name: trisodium (3E)-3-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-4-oxo-6-(phenoxymethylamino)-7-sulfonato-2-naphthalenecarboperoxoate IUPAC Name: trisodium (3E)-3-[(4-methyl-2-sulfonatophenyl)hydrazinylidene]-4-oxo-6-(phenoxymethylamino)-7-sulfonatonaphthalene-2-carboperoxoate Traditional Name: trisodium (3E)-4-keto-3-[(4-methyl-2-sulfonato-phenyl)hydrazono]-6-(phenoxymethylamino)-7-sulfonato-naphthalene-2-carboperoxoate Formula: C25H18N3Na3O11S2 MolecularWeight: 669.52323

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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-])C(=O)O[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-])C(=O)O[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C25H21N3O11S2.3Na/c1-14-7-8-19(21(9-14)40(32,33)34)27-28-23-18(25(30)39-31)10-15-11-22(41(35,36)37)20(12-17(15)24(23)29)26-13-38-16-5-3-2-4-6-16;;;/h2-12,26-27,31H,13H2,1H3,(H,32,33,34)(H,35,36,37);;;/q;3*+1/p-3/b28-23+;;;