VWD

(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol

Created:	2020-09-17
Last modified:	2020-09-30

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2 entries where VWD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	6

2D diagram of VWD

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Chemical Component Summary
Name	(1R)-2-(methylsulfonyl)-1-phenylethan-1-ol
Systematic Name (OpenEye OEToolkits)	(1~{R})-2-methylsulfonyl-1-phenyl-ethanol
Formula	C₉ H₁₂ O₃ S
Molecular Weight	200.255
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(C(CS(C)(=O)=O)O)ccccc1
SMILES	CACTVS	3.385	C[S](=O)(=O)C[CH](O)c1ccccc1
SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)CC(c1ccccc1)O
Canonical SMILES	CACTVS	3.385	C[S](=O)(=O)C[C@H](O)c1ccccc1
Canonical SMILES	OpenEye OEToolkits	2.0.7	CS(=O)(=O)C[C@@H](c1ccccc1)O
InChI	InChI	1.03	InChI=1S/C9H12O3S/c1-13(11,12)7-9(10)8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3/t9-/m0/s1
InChIKey	InChI	1.03	FVZQEVNJWREWHU-VIFPVBQESA-N

Related Resource References

Resource Name	Reference
PubChem	12684717

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.