tetrasodium 5-[(4-sulfonatophenyl)carbamothioylamino]-2-[(E)-2-[2-sulfonato-4-[(4-sulfonatophenyl)carbamothioylamino]phenyl]ethenyl]benzenesulfonate

Systemtic Name: tetrasodium 5-[(4-sulfonatophenyl)carbamothioylamino]-2-[(E)-2-[2-sulfonato-4-[(4-sulfonatophenyl)carbamothioylamino]phenyl]ethenyl]benzenesulfonate Openeye Name: tetrasodium 5-[(4-sulfonatophenyl)carbamothioylamino]-2-[(E)-2-[2-sulfonato-4-[(4-sulfonatophenyl)carbamothioylamino]phenyl]vinyl]benzenesulfonate CAS Name: tetrasodium 5-[[sulfanylidene-(4-sulfonatoanilino)methyl]amino]-2-[(E)-2-[4-[[sulfanylidene-(4-sulfonatoanilino)methyl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate IUPAC Name: tetrasodium 5-[(4-sulfonatophenyl)carbamothioylamino]-2-[(E)-2-[2-sulfonato-4-[(4-sulfonatophenyl)carbamothioylamino]phenyl]ethenyl]benzenesulfonate Traditional Name: tetrasodium 5-[(4-sulfonatophenyl)thiocarbamoylamino]-2-[(E)-2-[2-sulfonato-4-[(4-sulfonatophenyl)thiocarbamoylamino]phenyl]vinyl]besylate Formula: C28H20N4Na4O12S6 MolecularWeight: 888.82708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=S)NC2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)NC(=S)NC4=CC=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C28H24N4O12S6.4Na/c33-47(34,35)23-11-7-19(8-12-23)29-27(45)31-21-5-3-17(25(15-21)49(39,40)41)1-2-18-4-6-22(16-26(18)50(42,43)44)32-28(46)30-20-9-13-24(14-10-20)48(36,37)38;;;;/h1-16H,(H2,29,31,45)(H2,30,32,46)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4/b2-1+;;;;