disodium (3Z)-5-benzamido-3-[[2-(2-methylphenoxy)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-benzamido-3-[[2-(2-methylphenoxy)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-benzamido-3-[[2-(2-methylphenoxy)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-benzamido-3-[[2-(2-methylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-benzamido-3-[[2-(2-methylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-benzamido-4-keto-3-[[2-(2-methylphenoxy)phenyl]hydrazono]naphthalene-2,7-disulfonate Formula: C30H21N3Na2O9S2 MolecularWeight: 677.61198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=CC=CC=C2NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C5=CC=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=CC=C1OC2=CC=CC=C2N/N=C/3\C(=CC4=CC(=CC(=C4C3=O)NC(=O)C5=CC=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H23N3O9S2.2Na/c1-18-9-5-7-13-24(18)42-25-14-8-6-12-22(25)32-33-28-26(44(39,40)41)16-20-15-21(43(36,37)38)17-23(27(20)29(28)34)31-30(35)19-10-3-2-4-11-19;;/h2-17,32H,1H3,(H,31,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/b33-28+;;