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Trisulfo-Cy3-alkyne
| Catalog Number | CCR1895849349 |
| CAS | 1895849-34-9 |
| IUPAC Name | 2-[(E,3E)-3-[3,3-Dimethyl-1-[6-oxo-6-(prop-2-ynylamino)hexyl]-5-sulfoindol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-5-sulfonate |
| Molecular Weight | 761.92 |
| Molecular Formula | C35H43N3O10S3 |
| Canonical SMILES | CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C/3\C(C4=C(N3CCCCCC(=O)NCC#C)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C |
| InChI | InChI=1S/C35H43N3O10S3/c1-6-19-36-33(39)14-8-7-9-20-37-29-17-15-25(50(43,44)45)23-27(29)34(2,3)31(37)12-10-13-32-35(4,5)28-24-26(51(46,47)48)16-18-30(28)38(32)21-11-22-49(40,41)42/h1,10,12-13,15-18,23-24H,7-9,11,14,19-22H2,2-5H3,(H3-,36,39,40,41,42,43,44,45,46,47,48) |
| InChI Key | CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1C=CC=C3C(C4=C(N3CCCCCC(=O)NCC#C)C=CC(=C4)S(=O)(=O)O)(C)C)CCCS(=O)(=O)O)C |
| Solubility | Soluble in water, DMSO, DMF, DCM |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Complexity | 1760 |
| Exact Mass | 761.21105810 |
| Monoisotopic Mass | 761.21105810 |
| Topological Polar Surface Area | 226 Ų |
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