Toluene-4-sulfonic acid, 2-benzyloxy-1-methylethyl ester

HCID 562182
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Basic information

Standard SMILES
Cc1ccc(S(=O)(=O)OC(C)COCc2ccccc2)cc1
InChIKey
SUJDHOPYTYYIDS-UHFFFAOYSA-N
Molecular formula
C17H20O4S
Average molar mass
320.4 g/mol
Monoisotopic mass
320.10823029

Names & identifiers

Preferred name
Toluene-4-sulfonic acid, 2-benzyloxy-1-methylethyl ester
IUPAC
1-phenylmethoxypropan-2-yl 4-methylbenzenesulfonate

Names & synonyms

PhCH2OCH2CH(CH3)OTsTsOCH(CH3)CH2OCH2PhSCHEMBL10700034Toluene-4-sulfonic acid, 2-benzyloxy-1-methylethyl ester2-(Benzyloxy)-1-methylethyl 4-methylbenzenesulfonate #

Database identifiers

PubChem CID
562182

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
61 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
22

Related reactions

9 records
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Compound notes

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