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

Systemtic Name: disodium (3Z)-5-benzamido-3-[[2-(4-cyclohexylphenoxy)phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-benzamido-3-[[2-(4-cyclohexylphenoxy)phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-benzamido-3-[[2-(4-cyclohexylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-benzamido-3-[[2-(4-cyclohexylphenoxy)phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-benzamido-3-[[2-(4-cyclohexylphenoxy)phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C35H29N3Na2O9S2 MolecularWeight: 745.729

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OC3=CC=CC=C3NN=C4C(=CC5=CC(=CC(=C5C4=O)NC(=O)C6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OC3=CC=CC=C3N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)NC(=O)C6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C35H31N3O9S2.2Na/c39-34-32-25(19-27(48(41,42)43)21-29(32)36-35(40)24-11-5-2-6-12-24)20-31(49(44,45)46)33(34)38-37-28-13-7-8-14-30(28)47-26-17-15-23(16-18-26)22-9-3-1-4-10-22;;/h2,5-8,11-22,37H,1,3-4,9-10H2,(H,36,40)(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2/b38-33+;;