Cas no 154082-13-0 (3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-,inner salt)

3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-,inner salt structure
154082-13-0 structure
Product Name:3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-,inner salt
CAS No:154082-13-0
MF:C32H38N2O12S4
MW:770.910324573517
CID:106446
PubChem ID:44147472
Update Time:2025-04-18

3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-,inner salt Chemical and Physical Properties

Names and Identifiers

    • 3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-,inner salt
    • (2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-sulfonato-1-(2-sulfonatoethyl)indol-1-ium-2-yl]-4-methylhepta-2,4,6-trienylidene]-3,3-dimethyl-1-(2-sulfonatoethyl)indole-5-sulfonate,hydron
    • 3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-meth...
    • 3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-d
    • Omocianine [INN]
    • Trihydrogen 2-((1E,3E,5E)-7-((2E)-3,3-dimethyl-5-sulfonato-1-(2-sulfonatoethyl)-1,3-dihydro-2H-indol-2-ylidene)-4-methylhepta-1,3,5-trienyl)-3,3-dimethyl-1-(2-sulfonatoethyl)-3H-indolium-5-sulfonate
    • UNII-5GD5D29K7I
    • Omocianine
    • tetrasulfocyanine acid
    • DTXSID20165529
    • ZK-203468
    • 154082-13-0
    • 5GD5D29K7I
    • ZK203468
    • TRIHYDROGEN 2-((1E,3E,5E)-7-((2E)-3,3-DIMETHYL-5-SULPHONATO-1-(2-SULPHONATOETHYL)-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)-4-METHYLHEPTA-1,3,5-TRIENYL)-3,3-DIMETHYL-1-(2-SULPHONATOETHYL)-3H-INDOLIUM-5-SULPHONATE
    • SH Y 00739
    • ZK 203468
    • CHEMBL3989688
    • Inchi： 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)
    • InChI Key： WKWHOLCUESSZIQ-UHFFFAOYSA-N
    • SMILES： S(C1C=CC2=C(C=1)C(C)(C)C(/C=C/C=C(\C)/C=C/C=C1\C(C)(C)C3C=C(C=CC=3N\1CCS(=O)(=O)[O-])S(=O)(=O)[O-])=[N+]2CCS(=O)(=O)[O-])(=O)(=O)[O-].[H+].[H+].[H+]

Computed Properties

  • Exact Mass: 770.131
  • Monoisotopic Mass: 770.131
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 50
  • Rotatable Bond Count: 8
  • Complexity: 1720
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 4
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 269A^2

3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-,inner salt Related Literature

154082-13-0 (3H-Indolium,2-[7-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-2H-indol-2-ylidene]-4-methyl-1,3,5-heptatrien-1-yl]-3,3-dimethyl-5-sulfo-1-(2-sulfoethyl)-,inner salt) Related Products

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