disodium 5-[(4-ethoxyphenyl)diazenyl]-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonato-phenyl]sulfanyl-benzenesulfonate

Systemtic Name: disodium 5-[(4-ethoxyphenyl)diazenyl]-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonato-phenyl]sulfanyl-benzenesulfonate Openeye Name: disodium 5-(4-ethoxyphenyl)azo-2-[4-(4-ethoxyphenyl)azo-2-sulfonato-phenyl]sulfanyl-benzenesulfonate CAS Name: disodium 5-(4-ethoxyphenyl)azo-2-[[4-(4-ethoxyphenyl)azo-2-sulfonatophenyl]thio]benzenesulfonate IUPAC Name: disodium 5-[(4-ethoxyphenyl)diazenyl]-2-[4-[(4-ethoxyphenyl)diazenyl]-2-sulfonatophenyl]sulfanylbenzenesulfonate Traditional Name: disodium 5-p-phenetylazo-2-[(4-p-phenetylazo-2-sulfonato-phenyl)thio]besylate Formula: C28H24N4Na2O8S3 MolecularWeight: 686.6867

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)SC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)OCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCOC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)SC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)OCC)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C28H26N4O8S3.2Na/c1-3-39-23-11-5-19(6-12-23)29-31-21-9-15-25(27(17-21)42(33,34)35)41-26-16-10-22(18-28(26)43(36,37)38)32-30-20-7-13-24(14-8-20)40-4-2;;/h5-18H,3-4H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2