F2X
(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione
Created: | 2020-03-18 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 24 |
Chiral Atom Count | 1 |
Bond Count | 25 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione |
Systematic Name (OpenEye OEToolkits) | (2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione |
Formula | C11 H10 O3 |
Molecular Weight | 190.195 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C[CH]1CC(=O)c2c(O)cccc2C1=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(=O)c2c(cccc2O)C1=O |
Canonical SMILES | CACTVS | 3.385 | C[C@@H]1CC(=O)c2c(O)cccc2C1=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(=O)c2c(cccc2O)C1=O |
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 |
Related Resource References
Resource Name | Reference |
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PubChem | 98142580 |