4-Hydroxyphenyldimethylsulfomethyl sulfate

HCID 86745786
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Basic information

Standard SMILES
CC(C)(OS(=O)(=O)[O-])S(=O)(=O)Oc1ccc(O)cc1
InChIKey
QPTPXOMOLXBCBT-UHFFFAOYSA-M
Molecular formula
C9H11O8S2-
Average molar mass
311.3 g/mol
Monoisotopic mass
310.98953465

Names & identifiers

Preferred name
4-Hydroxyphenyldimethylsulfomethyl sulfate
IUPAC
2-(4-hydroxyphenoxy)sulfonylpropan-2-yl sulfate

Names & synonyms

QPTPXOMOLXBCBT-UHFFFAOYSA-M4-hydroxyphenyldimethylsulfomethyl sulfate

Database identifiers

PubChem CID
86745786

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
147 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
19

Related reactions

8 records
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Compound notes

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