disodium (3Z)-5-benzamido-3-[[2-(2-tert-butyl-5-methyl-phenoxy)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-benzamido-3-[[2-(2-tert-butyl-5-methyl-phenoxy)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-benzamido-3-[[2-(2-tert-butyl-5-methyl-phenoxy)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-benzamido-3-[[2-(2-tert-butyl-5-methylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-benzamido-3-[[2-(2-tert-butyl-5-methylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-benzamido-3-[[2-(2-tert-butyl-5-methyl-phenoxy)phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C34H29N3Na2O9S2 MolecularWeight: 733.7183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OC2=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(=C(C=C1)C(C)(C)C)OC2=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/C34H31N3O9S2.2Na/c1-20-14-15-24(34(2,3)4)28(16-20)46-27-13-9-8-12-25(27)36-37-31-29(48(43,44)45)18-22-17-23(47(40,41)42)19-26(30(22)32(31)38)35-33(39)21-10-6-5-7-11-21;;/h5-19,36H,1-4H3,(H,35,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2/b37-31+;;