3UQ
Summary
| Name: | [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+) |
| Formula: | C15 H13 Ru |
| Formal charge: | 1 |
| Formula weight: | 294.334 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,4a,8a-eta)-naphthalene]ruthenium(1+) |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [Ru+]%11674389%10%116c%12c8c9c%10c%11%13c6%12cccc%13 |
| InChI | InChI | 1.03 | InChI=1S/C10H8.C5H5.Ru/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-4-5-3-1;/h1-8H;1-5H;/q;;+1 |
| InChIKey | InChI | 1.03 | OPZOOBQSPMUFBC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | [Ru+]|12|3|4|5|6|7|8|9(|C%10=C|1C2C|3=C|4%10)|C%11=C|5c%12|6ccccc|7%12C|8=C|9%11 |
| SMILES | CACTVS | 3.385 | [Ru+]|12|3|4|5|6|7|8|9(|C%10=C|1C2C|3=C|4%10)|C%11=C|5c%12|6ccccc|7%12C|8=C|9%11 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1 |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1=CC23=C4([Ru+]2567892%10([CH]3=[CH]5[CH]6=[CH]74)[CH]3=[CH]8C9[CH]2=[CH]%103)C=C1 |
