T5C

2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM


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Chemical Component Summary

Name2-{(1E,3Z,5E,7E)-7-[3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE]-4-METHYLHEPTA-1,3,5-TRIEN-1-YL}-3,3-DIMETHYL-5-SULFO-1-(2-SULFOETHYL)-3H-INDOLIUM
SynonymsTETRASULFOCYANINE
Identifiers(2E)-2-[(2E,4E)-7-[3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)indol-1-ium-2-yl]-4-methyl-hepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-sulfoethyl)indole-5-sulfonic acid
FormulaC32 H39 N2 O12 S4
Molecular Weight771.918
TypeNON-POLYMER
Isomeric SMILESC\C(=C/C=CC1=[N+](c2ccc(cc2C1(C)C)S(=O)(=O)O)CCS(=O)(=O)O)\C=C\C=C\3/C(c4cc(ccc4N3CCS(=O)(=O)O)S(=O)(=O)O)(C)C
InChIInChI=1S/C32H38N2O12S4/c1-22(8-6-10-29-31(2,3)25-20-23(49(41,42)43)12-14-27(25)33(29)16-18-47(35,36)37)9-7-11-30-32(4,5)26-21-24(50(44,45)46)13-15-28(26)34(30)17-19-48(38,39)40/h6-15,20-21H,16-19H2,1-5H3,(H3-,35,36,37,38,39,40,41,42,43,44,45,46)/p+1
InChIKeyWKWHOLCUESSZIQ-UHFFFAOYSA-O

Chemical Details

Formal Charge1
Atom Count89
Chiral Atom Count0
Bond Count92
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 73427368, 57511259, 49867718, 10123544