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(6-Benzhydryloxan-3-yl) methanesulfonate

HCID 73009409
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)OC1CCC(C(c2ccccc2)c2ccccc2)OC1
InChIKey
LHCMEVZQULPKKO-UHFFFAOYSA-N
Molecular formula
C19H22O4S
Average molar mass
346.4 g/mol

Names & identifiers

Preferred name
(6-Benzhydryloxan-3-yl) methanesulfonate
IUPAC
(6-benzhydryloxan-3-yl) methanesulfonate

Names & synonyms

SCHEMBL244563

Database identifiers

PubChem CID
73009409

Properties

Computed structural propertiesFilling in

XLogP
3.5
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
454

Related reactions

2 records
New reaction record
HRID 209112 reaction equation
HRID 209112As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1133617 reaction equation
HRID 1133617As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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