![2-[5-[3,3-Dimethyl-1-(4-sulfobutyl)-1,3-dihydroindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium inner salt sodium salt structure, CAS 120768-44-7](/structures/60000/51373_1_120768_44_7.png)
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 120768-44-7 |
| Catalog No. | 2A-9051373 |
| Chinese Name | 2-[5-[3,3-二甲基-1-(4-磺酸基丁基)-1,3-二氢吲哚-2-亚基]-1,3-戊二烯基]-3,3-二甲基-1-(4-磺酸基丁基)-3H-吲哚鎓内盐钠盐 |
| Molecular Formula | C33H41N2NaO6S2 |
| Molecular Weight | 749.35 |
| Purity | 98.00 |
| Melting Point | 209-212 °C (lit.) |
| Appearance | solid |
| PubChem ID | 57651464 |
| MDL Number | MFCD03427057 |
| SMILES | [Na+].CC1(C)\C(=C\C=C2/CCCC(\C=C\C3=[N+](CCCCS([O-])(=O)=O)c4ccccc4C3(C)C)=C2Cl)N(CCCCS([O-])(=O)=O)c5ccccc15 |
| InChI | 1S/C38H47ClN2O6S2.Na/c1-37(2)30-16-5-7-18-32(30)40(24-9-11-26-48(42,43)44)34(37)22-20-28-14-13-15-29(36(28)39)21-23-35-38(3,4)31-17-6-8-19-33(31)41(35)25-10-12-27-49(45,46)47;/h5-8,16-23H,9-15,24-27H2,1-4H3,(H-,42,43,44,45,46,47);/q;+1/p-1 |
| InChI Key | QQIQAVJARACLHE-UHFFFAOYSA-M |
| NACRES Code | NA.23 |
| UNSPSC | 12352103 |
| MSDS | msds/51373_1_120768_44_7.pdf |
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