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

Formal Charge0
Atom Count24
Chiral Atom Count1
Bond Count25
Aromatic Bond Count6
2D diagram of F2X

Chemical Component Summary

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
FormulaC11 H10 O3
Molecular Weight190.195
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385C[CH]1CC(=O)c2c(O)cccc2C1=O
SMILESOpenEye OEToolkits2.0.7CC1CC(=O)c2c(cccc2O)C1=O
Canonical SMILESCACTVS3.385 C[C@@H]1CC(=O)c2c(O)cccc2C1=O
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H]1CC(=O)c2c(cccc2O)C1=O
InChIInChI1.03 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
InChIKeyInChI1.03 ALPCEXCHMFUSAN-ZCFIWIBFSA-N

Related Resource References

Resource NameReference
PubChem 98142580