F2X
Summary
Name: | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione |
Formula: | C11 H10 O3 |
Formal charge: | 0 |
Formula weight: | 190.195 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1 |
InChIKey | InChI | 1.03 | ALPCEXCHMFUSAN-ZCFIWIBFSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CC(=O)c2c(O)cccc2C1=O |
SMILES | CACTVS | 3.385 | C[CH]1CC(=O)c2c(O)cccc2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(=O)c2c(cccc2O)C1=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(=O)c2c(cccc2O)C1=O |