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

Systemtic Name: disodium (3Z)-5-benzamido-3-[[3-(4-tert-butylphenoxy)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-benzamido-3-[[3-(4-tert-butylphenoxy)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-benzamido-3-[[3-(4-tert-butylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-benzamido-3-[[3-(4-tert-butylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-benzamido-3-[[3-(4-tert-butylphenoxy)phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C33H27N3Na2O9S2 MolecularWeight: 719.69172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)NN=C3C(=CC4=CC(=CC(=C4C3=O)NC(=O)C5=CC=CC=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)N/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/C33H29N3O9S2.2Na/c1-33(2,3)22-12-14-24(15-13-22)45-25-11-7-10-23(18-25)35-36-30-28(47(42,43)44)17-21-16-26(46(39,40)41)19-27(29(21)31(30)37)34-32(38)20-8-5-4-6-9-20;;/h4-19,35H,1-3H3,(H,34,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b36-30+;;