disodium (3Z)-5-azanyl-4-oxidanylidene-3-[[4-[[4-[(2Z)-2-(4-oxidanylidene-2-phenylazanyl-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]amino]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-azanyl-4-oxidanylidene-3-[[4-[[4-[(2Z)-2-(4-oxidanylidene-2-phenylazanyl-cyclohexa-2,5-dien-1-ylidene)hydrazinyl]phenyl]amino]phenyl]hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(2-anilino-4-oxo-cyclohexa-2,5-dien-1-ylidene)hydrazino]anilino]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(2-anilino-4-oxo-1-cyclohexa-2,5-dienylidene)hydrazinyl]anilino]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-amino-3-[[4-[4-[(2Z)-2-(2-anilino-4-oxocyclohexa-2,5-dien-1-ylidene)hydrazinyl]anilino]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-amino-3-[[4-[4-[(N'Z)-N'-(2-anilino-4-keto-cyclohexa-2,5-dien-1-ylidene)hydrazino]anilino]phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C34H25N7Na2O8S2 MolecularWeight: 769.71394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=CC(=O)C=CC2=NNC3=CC=C(C=C3)NC4=CC=C(C=C4)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC\2=CC(=O)C=C/C2=N/NC3=CC=C(C=C3)NC4=CC=C(C=C4)N/N=C/5\C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C34H27N7O8S2.2Na/c35-28-19-27(50(44,45)46)16-20-17-31(51(47,48)49)33(34(43)32(20)28)41-39-25-12-8-23(9-13-25)36-22-6-10-24(11-7-22)38-40-29-15-14-26(42)18-30(29)37-21-4-2-1-3-5-21;;/h1-19,36-39H,35H2,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2/b40-29-,41-33+;;