disodium (3Z)-7-benzamido-3-[[3-methyl-4-[(2-methyl-4-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: disodium (3Z)-7-benzamido-3-[[3-methyl-4-[(2-methyl-4-sulfonato-phenyl)diazenyl]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: disodium (3Z)-7-benzamido-3-[[3-methyl-4-(2-methyl-4-sulfonato-phenyl)azo-phenyl]hydrazono]-4-oxo-naphthalene-2-sulfonate CAS Name: disodium (3Z)-7-benzamido-3-[[3-methyl-4-(2-methyl-4-sulfonatophenyl)azophenyl]hydrazinylidene]-4-oxo-2-naphthalenesulfonate IUPAC Name: disodium (3Z)-7-benzamido-3-[[3-methyl-4-[(2-methyl-4-sulfonatophenyl)diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2-sulfonate Traditional Name: disodium (3Z)-7-benzamido-4-keto-3-[[3-methyl-4-(2-methyl-4-sulfonato-phenyl)azo-phenyl]hydrazono]naphthalene-2-sulfonate Formula: C31H23N5Na2O8S2 MolecularWeight: 703.65256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])N=NC5=C(C=C(C=C5)S(=O)(=O)[O-])C.[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])N=NC5=C(C=C(C=C5)S(=O)(=O)[O-])C.[Na+].[Na+]

InChI

InChI=1S/C31H25N5O8S2.2Na/c1-18-14-23(9-12-26(18)34-35-27-13-10-24(15-19(27)2)45(39,40)41)33-36-29-28(46(42,43)44)17-21-16-22(8-11-25(21)30(29)37)32-31(38)20-6-4-3-5-7-20;;/h3-17,33H,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b35-34?,36-29+;;