VWD

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

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

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count1
Bond Count25
Aromatic Bond Count6
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
FormulaC9 H12 O3 S
Molecular Weight200.255
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(C(CS(C)(=O)=O)O)ccccc1
SMILESCACTVS3.385C[S](=O)(=O)C[CH](O)c1ccccc1
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)CC(c1ccccc1)O
Canonical SMILESCACTVS3.385 C[S](=O)(=O)C[C@H](O)c1ccccc1
Canonical SMILESOpenEye OEToolkits2.0.7 CS(=O)(=O)C[C@@H](c1ccccc1)O
InChIInChI1.03 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
InChIKeyInChI1.03 FVZQEVNJWREWHU-VIFPVBQESA-N

Related Resource References

Resource NameReference
PubChem 12684717