CAS: 17689-66-6
이름: (3-hydroxy-3-methylbutyl) 4-methylbenzenesulfonate
SMILES:
CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(C)OMolecular Processing
Molecular formula
C12H18O4S
Molecular weight
258.34
Exact mass
258.0926
XLogP
1.86
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.23
Supplementary Information
InChIKey: GGLYIKZLOPXYOV-UHFFFAOYSA-N
동의어
17689-66-62-methyl-4-[(4-methylbenzenesulfonyl)oxy]butan-2-ol2-methyl-4-((4-methylbenzenesulfonyl)oxy)butan-2-olRefChem:475464884-777-93-hydroxy-3-methylbutyl 4-methylbenzenesulfonateMFCD263846531,3-Butanediol, 3-methyl-, 1-(4-methylbenzenesulfonate)(3-hydroxy-3-methylbutyl) 4-methylbenzenesulfonate3-hydroxy-3-methylbutyl tosylateSCHEMBL1438581GGLYIKZLOPXYOV-UHFFFAOYSA-NSAA68966AKOS027338261GS-6230SY122433DB-3046623-hydroxy-3-methylbutyl toluene-4-sulfonateCS-01277773-hydroxy-3-methylbutyl4-methylbenzenesulfonateH10373EN300-74119143-hydroxy-3-methylbutyl 4-methylbenzene sulfonateF513612(3-hydroxy-3-methyl-butyl) 4-methylbenzenesulfonateToluene-4-sulfonic acid 3-hydroxy-3-methylbutyl esterToluene-4-sulfonic acid 3-hydroxy-3-methyl-butyl ester
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