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ROX alkyne, 5-isomer
| Catalog Number | CCR2264016886 |
| CAS | 2264016-88-6 |
| Synonyms | 5-Carboxy-X-rhodamine alkyne |
| IUPAC Name | 2-(3-Oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)-5-(prop-2-ynylcarbamoyl)benzoate |
| Molecular Weight | 571.68 |
| Molecular Formula | C36H33N3O4 |
| Canonical SMILES | C#CCNC(=O)C1=CC(=C(C=C1)C2=C3C=C4CCC[N+]5=C4C(=C3OC6=C2C=C7CCCN8C7=C6CCC8)CCC5)C(=O)[O-] |
| InChI | InChI=1S/C36H33N3O4/c1-2-13-37-35(40)23-11-12-24(27(20-23)36(41)42)30-28-18-21-7-3-14-38-16-5-9-25(31(21)38)33(28)43-34-26-10-6-17-39-15-4-8-22(32(26)39)19-29(30)34/h1,11-12,18-20H,3-10,13-17H2,(H-,37,40,41,42) |
| InChI Key | CVKMZLSPUPLXNQ-UHFFFAOYSA-N |
| Solubility | Soluble in DMSO, DMF, methanol, ethanol |
| Application | CuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction |
| Storage | -20 °C |
| Complexity | 1340 |
| Exact Mass | 571.24710654 |
| Monoisotopic Mass | 571.24710654 |
| Topological Polar Surface Area | 84.7Ų |
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