disodium 4-[[2,4-bis(azanyl)-5-[[3-[[2,4-bis(azanyl)-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate

Systemtic Name: disodium 4-[[2,4-bis(azanyl)-5-[[3-[[2,4-bis(azanyl)-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate Openeye Name: disodium 4-[2,4-diamino-5-[3-[2,4-diamino-5-(4-sulfonatophenyl)azo-phenyl]azophenyl]azo-phenyl]azobenzenesulfonate CAS Name: disodium 4-[2,4-diamino-5-[3-[2,4-diamino-5-(4-sulfonatophenyl)azophenyl]azophenyl]azophenyl]azobenzenesulfonate IUPAC Name: disodium 4-[[2,4-diamino-5-[[3-[[2,4-diamino-5-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]benzenesulfonate Traditional Name: disodium 4-[2,4-diamino-5-[3-[2,4-diamino-5-(4-sulfonatophenyl)azo-phenyl]azophenyl]azo-phenyl]azobesylate Formula: C30H24N12Na2O6S2 MolecularWeight: 758.6979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=NC2=C(C=C(C(=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])N)N)N=NC4=C(C=C(C(=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])N)N.[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)N=NC2=C(C=C(C(=C2)N=NC3=CC=C(C=C3)S(=O)(=O)[O-])N)N)N=NC4=C(C=C(C(=C4)N=NC5=CC=C(C=C5)S(=O)(=O)[O-])N)N.[Na+].[Na+]

InChI

InChI=1S/C30H26N12O6S2.2Na/c31-23-13-25(33)29(15-27(23)39-35-17-4-8-21(9-5-17)49(43,44)45)41-37-19-2-1-3-20(12-19)38-42-30-16-28(24(32)14-26(30)34)40-36-18-6-10-22(11-7-18)50(46,47)48;;/h1-16H,31-34H2,(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2