tetrasodium (3E)-3-[[4-[4-[(2E)-2-[8-azanyl-7-[[5-azanyl-2-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

Systemtic Name: tetrasodium (3E)-3-[[4-[4-[(2E)-2-[8-azanyl-7-[[5-azanyl-2-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-1-oxidanylidene-3,6-disulfonato-naphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate Openeye Name: tetrasodium (3E)-3-[[4-[4-[(2E)-2-[8-amino-7-[5-amino-2-(4-sulfonatophenyl)azo-phenyl]azo-1-oxo-3,6-disulfonato-2-naphthylidene]hydrazino]phenyl]phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate CAS Name: tetrasodium (3E)-3-[[4-[4-[(2E)-2-[8-amino-7-[5-amino-2-(4-sulfonatophenyl)azophenyl]azo-1-oxo-3,6-disulfonato-2-naphthalenylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate IUPAC Name: tetrasodium (3E)-3-[[4-[4-[(2E)-2-[8-amino-7-[[5-amino-2-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-1-oxo-3,6-disulfonatonaphthalen-2-ylidene]hydrazinyl]phenyl]phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate Traditional Name: tetrasodium (3E)-3-[[4-[4-[(N'E)-N'-[8-amino-7-[5-amino-2-(4-sulfonatophenyl)azo-phenyl]azo-1-keto-3,6-disulfonato-2-naphthylidene]hydrazino]phenyl]phenyl]hydrazono]-6-keto-cyclohexa-1,4-diene-1-carboxylate Formula: C41H26N10Na4O13S3 MolecularWeight: 1054.85842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)NN=C3C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=C(C=CC(=C5)N)N=NC6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NN=C7C=CC(=O)C(=C7)C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)N/N=C\3/C(=CC4=CC(=C(C(=C4C3=O)N)N=NC5=C(C=CC(=C5)N)N=NC6=CC=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N/N=C/7\C=CC(=O)C(=C7)C(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C41H30N10O13S3.4Na/c42-24-5-15-31(48-45-27-10-13-29(14-11-27)65(56,57)58)32(19-24)49-50-38-34(66(59,60)61)17-23-18-35(67(62,63)64)39(40(53)36(23)37(38)43)51-46-26-8-3-22(4-9-26)21-1-6-25(7-2-21)44-47-28-12-16-33(52)30(20-28)41(54)55;;;;/h1-20,44,46H,42-43H2,(H,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;/q;4*+1/p-4/b47-28+,48-45?,50-49?,51-39-;;;;