IYL
概要
| 表記: | [9-[2-carboxy-5-[2-[2-(5-oxidanylpentoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
| 組成式: | C34 H42 N3 O7 |
| 電荷: | 1 |
| 化学式量: | 604.713 Da |
| 分子種別: | non-polymer |
化合物名
| プログラム | バージョン | 表記 |
| OpenEye OEToolkits | 2.0.7 | [9-[2-carboxy-5-[2-[2-(5-oxidanylpentoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| InChI | InChI | 1.06 | InChI=1S/C34H41N3O7/c1-36(2)24-9-12-27-30(21-24)44-31-22-25(37(3)4)10-13-28(31)32(27)29-20-23(8-11-26(29)34(40)41)33(39)35-14-17-43-19-18-42-16-7-5-6-15-38/h8-13,20-22,38H,5-7,14-19H2,1-4H3,(H-,35,39,40,41)/p+1 |
| InChIKey | InChI | 1.06 | JWWZUBNFGVWRTE-UHFFFAOYSA-O |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCO)=[N+](C)C)c1 |
| SMILES | CACTVS | 3.385 | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCO)=[N+](C)C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)c1ccc2c(c1)OC3=CC(=[N+](C)C)C=CC3=C2c4cc(ccc4C(=O)O)C(=O)NCCOCCOCCCCCO |
