Nombre: ethyl 2-[(4-chlorosulfonyl-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]acetate
SMILES:
CCOC(=O)COC1=C2CCCCC2=C(C=C1)S(=O)(=O)ClMolecular Processing
Molecular formula
C14H17ClO5S
Molecular weight
332.8
Exact mass
332.0485
XLogP
2.43
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
78.25
Supplementary Information
InChIKey: HXJDSCSUUNFDHL-UHFFFAOYSA-N
Sinónimos
SCHEMBL2876705HXJDSCSUUNFDHL-UHFFFAOYSA-N(4-Chlorosulfonyl-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid ethyl ester
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