FSQ

(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid

Created:	2018-07-25
Last modified:	2024-09-27

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2 entries where FSQ is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	4
Bond Count	27
Aromatic Bond Count	0

2D diagram of FSQ

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Chemical Component Summary
Name	(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid
Systematic Name (OpenEye OEToolkits)	(1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid
Formula	C₈ H₁₄ O₅
Molecular Weight	190.194
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	C[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CC1(CC(CC(C1O)O)C(=O)O)O
Canonical SMILES	CACTVS	3.385	C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O)O)O
InChI	InChI	1.03	InChI=1S/C8H14O5/c1-8(13)3-4(7(11)12)2-5(9)6(8)10/h4-6,9-10,13H,2-3H2,1H3,(H,11,12)/t4-,5+,6-,8+/m0/s1
InChIKey	InChI	1.03	OFMSIUGUPGSXKY-SKHQTKALSA-N

Related Resource References

Resource Name	Reference
PubChem	138857401

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