disodium (3Z)-5-azanyl-3-[[4-[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]sulfanylphenyl]hydrazinylidene]-4-oxidanylidene-6-phenyldiazenyl-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-azanyl-3-[[4-[4-[[2,4-bis(azanyl)phenyl]diazenyl]phenyl]sulfanylphenyl]hydrazinylidene]-4-oxidanylidene-6-phenyldiazenyl-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-amino-3-[[4-[4-(2,4-diaminophenyl)azophenyl]sulfanylphenyl]hydrazono]-4-oxo-6-phenylazo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-amino-3-[[4-[[4-(2,4-diaminophenyl)azophenyl]thio]phenyl]hydrazinylidene]-4-oxo-6-phenyldiazenylnaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]phenyl]sulfanylphenyl]hydrazinylidene]-4-oxo-6-phenyldiazenylnaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-amino-3-[[4-[[4-(2,4-diaminophenyl)azophenyl]thio]phenyl]hydrazono]-4-keto-6-phenylazo-naphthalene-2,7-disulfonate Formula: C34H25N9Na2O7S3 MolecularWeight: 813.79294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C(=NNC4=CC=C(C=C4)SC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)N=NC2=C(C=C3C=C(/C(=N\NC4=CC=C(C=C4)SC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)/C(=O)C3=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C34H27N9O7S3.2Na/c35-20-6-15-27(26(36)18-20)41-38-22-7-11-24(12-8-22)51-25-13-9-23(10-14-25)40-43-33-29(53(48,49)50)17-19-16-28(52(45,46)47)32(31(37)30(19)34(33)44)42-39-21-4-2-1-3-5-21;;/h1-18,40H,35-37H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2/b41-38?,42-39?,43-33+;;