4DS

4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid



Chemical Component Summary

Name4,4'-Diisothiocyano-2,2'-stilbenedisulfonic acid
Identifiers5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid
FormulaC16 H10 N2 O6 S4
Molecular Weight454.52
TypeNON-POLYMER
Isomeric SMILESc1cc(c(cc1N=C=S)S(=O)(=O)O)/C=C/c2ccc(cc2S(=O)(=O)O)N=C=S
InChIInChI=1S/C16H10N2O6S4/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/b2-1+
InChIKeyYSCNMFDFYJUPEF-OWOJBTEDSA-N

Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count0
Bond Count39
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL1162148
PubChem 5281951
ChEMBL CHEMBL1162148
ChEBI CHEBI:36511, CHEBI:4286