TR9

(5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione

Created:	2011-02-17
Last modified:	2024-09-27

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1 entries where TR9 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	1
Bond Count	19
Aromatic Bond Count	0

2D diagram of TR9

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Chemical Component Summary
Name	(5S)-2,5-dihydroxy-3-methylcyclohex-2-ene-1,4-dione
Systematic Name (OpenEye OEToolkits)	(5S)-2,5-dihydroxy-3-methyl-cyclohex-2-ene-1,4-dione
Formula	C₇ H₈ O₄
Molecular Weight	156.136
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1C(O)=C(C(=O)C(O)C1)C
SMILES	CACTVS	3.370	CC1=C(O)C(=O)C[CH](O)C1=O
SMILES	OpenEye OEToolkits	1.7.0	CC1=C(C(=O)CC(C1=O)O)O
Canonical SMILES	CACTVS	3.370	CC1=C(O)C(=O)C[C@H](O)C1=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC1=C(C(=O)C[C@@H](C1=O)O)O
InChI	InChI	1.03	InChI=1S/C7H8O4/c1-3-6(10)4(8)2-5(9)7(3)11/h4,8,11H,2H2,1H3/t4-/m0/s1
InChIKey	InChI	1.03	CWBLUSPNRBEFNW-BYPYZUCNSA-N

Related Resource References

Resource Name	Reference
PubChem	137350061

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