CC(C)(CO)C1=C(C=CC(=C1)OS(=O)(=O)C)O
Название: [4-hydroxy-3-(1-hydroxy-2-methylpropan-2-yl)phenyl] methanesulfonate
SMILES: CC(C)(CO)C1=C(C=CC(=C1)OS(=O)(=O)C)O

Molecular Processing

Molecular formula
C11H16O5S
Molecular weight
260.31
Exact mass
260.0718
XLogP
1
TPSA
83.83
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
63.69

Supplementary Information

InChIKey: KBDHIHFELQSEKM-UHFFFAOYSA-N
Синонимы
SCHEMBL11447693KBDHIHFELQSEKM-UHFFFAOYSA-N3-(2-hydroxy-1,1-dimethylethyl)-4-hydroxyphenyl methanesulphonate4-hydroxy-3-(2-hydroxy-1,1-dimethylethyl)phenyl methanesulphonate
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