pentasodium 2-[(2E)-2-[3-[(2,4-disulfonatophenyl)diazenyl]-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-[[4-[(2Z)-2-[3-[(2,4-disulfonatophenyl)diazenyl]-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]methyl]benzoate

Systemtic Name: pentasodium 2-[(2E)-2-[3-[(2,4-disulfonatophenyl)diazenyl]-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-[[4-[(2Z)-2-[3-[(2,4-disulfonatophenyl)diazenyl]-4-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]methyl]benzoate Openeye Name: pentasodium 2-[(2E)-2-[3-(2,4-disulfonatophenyl)azo-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]-5-[[4-[(2Z)-2-[3-(2,4-disulfonatophenyl)azo-4-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene]hydrazino]phenyl]methyl]benzoate CAS Name: pentasodium 2-[(2E)-2-[3-(2,4-disulfonatophenyl)azo-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]-5-[[4-[(2Z)-2-[3-(2,4-disulfonatophenyl)azo-4-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene]hydrazinyl]phenyl]methyl]benzoate IUPAC Name: pentasodium 2-[(2E)-2-[3-[(2,4-disulfonatophenyl)diazenyl]-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]-5-[[4-[(2Z)-2-[3-[(2,4-disulfonatophenyl)diazenyl]-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinyl]phenyl]methyl]benzoate Traditional Name: pentasodium 2-[(N'E)-N'-[3-(2,4-disulfonatophenyl)azo-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene]hydrazino]-5-[4-[(N'Z)-N'-[3-(2,4-disulfonatophenyl)azo-4-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene]hydrazino]benzyl]benzoate Formula: C38H23N8Na5O18S4 MolecularWeight: 1122.84087

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC(=C(C=C2)NN=C3C=C(C(=CC3=O)O)N=NC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)[O-])NN=C5C=C(C(=CC5=O)O)N=NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC(=C(C=C2)N/N=C/3\C=C(C(=CC3=O)O)N=NC4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)[O-])N/N=C\5/C=C(C(=CC5=O)O)N=NC6=C(C=C(C=C6)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C38H28N8O18S4.5Na/c47-32-17-34(49)30(45-41-26-9-6-22(65(53,54)55)13-36(26)67(59,60)61)15-28(32)43-39-21-4-1-19(2-5-21)11-20-3-8-25(24(12-20)38(51)52)40-44-29-16-31(35(50)18-33(29)48)46-42-27-10-7-23(66(56,57)58)14-37(27)68(62,63)64;;;;;/h1-10,12-18,39-40,49-50H,11H2,(H,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64);;;;;/q;5*+1/p-5/b43-28-,44-29+,45-41?,46-42?;;;;;