![2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H-benz[e]indolium Inner Salt](https://resource.bocsci.com/structure/63450-66-8.gif)
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| IUPAC Name: | 4-[2-[6-(N-acetylanilino)hexa-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate |
| Description: | 2-[6-(Acetylphenylamino)-1,3,5-hexatrienyl]-1,1-dimethyl-3-sulfobutyl-1H=-benz[e]indolium Inner Salt is a reactant used in the preparation of indocyanine green as an infrared probe. |
| Molecular Weight: | 542.69 |
| Molecular Formula: | C32H34N2O4S |
| Canonical SMILES: | CC(=O)N(C=CC=CC=CC1=[N+](C2=C(C1(C)C)C3=CC=CC=C3C=C2)CCCCS(=O)(=O)[O-])C4=CC=CC=C4 |
| InChI: | InChI=1S/C32H34N2O4S/c1-25(35)33(27-16-7-6-8-17-27)22-12-5-4-9-19-30-32(2,3)31-28-18-11-10-15-26(28)20-21-29(31)34(30)23-13-14-24-39(36,37)38/h4-12,15-22H,13-14,23-24H2,1-3H3 |
| InChI Key: | BIRXJKJWUZPHPJ-UHFFFAOYSA-N |
| Solubility: | Chloroform (Slightly), Methanol (Slightly) |
| Appearance: | Very Dark Brown to Black Solid |
| Storage: | 4°C, Hygroscopic |
| References: | Suganami, A. et al. Bioorg. Med. Chem. Lett., 22, 7481 (2012); Doi, T. et al. Synlett., 23, 306 (2012). |
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