disodium (3Z)-7-azanyl-3-[[2,5-dimethyl-4-[(2-methyl-4-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-7-azanyl-3-[[2,5-dimethyl-4-[(2-methyl-4-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-7-amino-3-[[2,5-dimethyl-4-(2-methyl-4-sulfonato-phenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-7-amino-3-[[2,5-dimethyl-4-(2-methyl-4-sulfonatophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-7-amino-3-[[2,5-dimethyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-7-amino-3-[[2,5-dimethyl-4-(2-methyl-4-sulfonato-phenyl)azo-phenyl]hydrazono]-4-keto-naphthalene-2-sulfonate Formula: C25H21N5Na2O7S2 MolecularWeight: 613.57308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NN=C2C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)[O-])C)N=NC4=C(C=C(C=C4)S(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)[O-])C)N=NC4=C(C=C(C=C4)S(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C25H23N5O7S2.2Na/c1-13-8-18(38(32,33)34)5-7-20(13)27-28-21-9-15(3)22(10-14(21)2)29-30-24-23(39(35,36)37)12-16-11-17(26)4-6-19(16)25(24)31;;/h4-12,29H,26H2,1-3H3,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2/b28-27?,30-24+;;