L3Y

4-(methylsulfonyl)benzaldehyde

Created:	2019-02-06
Last modified:	2024-09-27

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1 entries where L3Y is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	20
Aromatic Bond Count	6

2D diagram of L3Y

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Chemical Component Summary
Name	4-(methylsulfonyl)benzaldehyde
Systematic Name (OpenEye OEToolkits)	4-methylsulfonylbenzaldehyde
Formula	C₈ H₈ O₃ S
Molecular Weight	184.212
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CS(c1ccc(C=O)cc1)(=O)=O
SMILES	CACTVS	3.385	C[S](=O)(=O)c1ccc(C=O)cc1
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)c1ccc(cc1)C=O
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)c1ccc(C=O)cc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)c1ccc(cc1)C=O
InChI	InChI	1.03	InChI=1S/C8H8O3S/c1-12(10,11)8-4-2-7(6-9)3-5-8/h2-6H,1H3
InChIKey	InChI	1.03	PSVPUHBSBYJSMQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	220376
CCDC/CSD	AJEVOB, AJEVOB01
COD	2224489

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