T5L

(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid

Created:	2022-12-20
Last modified:	2024-01-10

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8 entries where T5L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	2
Bond Count	24
Aromatic Bond Count	0

2D diagram of T5L

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Chemical Component Summary
Name	(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	(1~{R},2~{R})-cyclohexane-1,2-dicarboxylic acid
Formula	C₈ H₁₂ O₄
Molecular Weight	172.178
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)[CH]1CCCC[CH]1C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	C1CCC(C(C1)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)[C@@H]1CCCC[C@H]1C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CC[C@H]([C@@H](C1)C(=O)O)C(=O)O
InChI	InChI	1.06	InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
InChIKey	InChI	1.06	QSAWQNUELGIYBC-PHDIDXHHSA-N

Related Resource References

Resource Name	Reference
PubChem	720895
CCDC/CSD	CYHCAC12, AYOWER, JAZBAO, JAWVIN
COD	2231645

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