4-[[(4-sulfophenyl)carbamothioyldisulfanyl]carbothioylamino]benzenesulfonic acid

Systemtic Name: 4-[[(4-sulfophenyl)carbamothioyldisulfanyl]carbothioylamino]benzenesulfonic acid Openeye Name: 4-[[(4-sulfophenyl)carbamothioyldisulfanyl]carbothioylamino]benzenesulfonic acid CAS Name: 4-[[sulfanylidene-[[sulfanylidene-(4-sulfoanilino)methyl]disulfanyl]methyl]amino]benzenesulfonic acid IUPAC Name: 4-[[(4-sulfophenyl)carbamothioyldisulfanyl]carbothioylamino]benzenesulfonic acid Traditional Name: 4-[[(4-sulfophenyl)thiocarbamoyldisulfanyl]carbothioylamino]besylic acid Formula: C14H12N2O6S6 MolecularWeight: 496.64488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=S)SSC(=S)NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1NC(=S)SSC(=S)NC2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H12N2O6S6/c17-27(18,19)11-5-1-9(2-6-11)15-13(23)25-26-14(24)16-10-3-7-12(8-4-10)28(20,21)22/h1-8H,(H,15,23)(H,16,24)(H,17,18,19)(H,20,21,22)