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(8-methoxy-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate

HCID 22734534
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1cccc2c1OC(COS(=O)(=O)c1ccc(C)cc1)C=C2
InChIKey
VFIZJSLAYLVPAO-UHFFFAOYSA-N
Molecular formula
C18H18O5S
Average molar mass
346.4 g/mol

Names & identifiers

Preferred name
(8-methoxy-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate
IUPAC
(8-methoxy-2H-chromen-2-yl)methyl 4-methylbenzenesulfonate

Names & synonyms

SCHEMBL4622668

Database identifiers

PubChem CID
22734534

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
70.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
24
Formal charge
0
Complexity
530

Related reactions

2 records
New reaction record
HRID 1126091 reaction equation
HRID 1126091As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2342027 reaction equation
HRID 2342027As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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