CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3OS(=O)(=O)C(F)(F)F)(C)C
CAS: 171568-44-8
Name: ethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate
SMILES: CCOC(=O)C1=CC=C(C=C1)C#CC2=CC3=C(C=C2)C(CC=C3OS(=O)(=O)C(F)(F)F)(C)C

Molecular Processing

Molecular formula
C24H21F3O5S
Molecular weight
478.49
Exact mass
478.1062
XLogP
5.15
TPSA
69.67
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
33
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
116.5

Supplementary Information

InChIKey: RKJFWYTUBCPBEP-UHFFFAOYSA-N
Synonyme
171568-44-84-[2-[5,6-DIHYDRO-5,5-DIMETHYL-8-[[(TRIFLUOROMETHYL)SULFONYL]OXY]-2-NAPHTHALENYL]ETHYNYL]BENZOIC ACID ETHYL ESTERethyl 4-[2-[5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-6H-naphthalen-2-yl]ethynyl]benzoate4-[2-[5,6-Dihydro-5,5-dimethyl-8-[[(trifluoromethyl)sulfonyl]oxy]-2-naphthalenyl]ethynyl]benzoic AciSCHEMBL6239862DTXSID80475893AKOS030255288DB-316115ethyl 4-[(5-trifluoromethylsulfonyloxy-7,8-dihydro-8,8-dimethylnaphth-3-yl)ethynyl]benzoateEthyl 4-[(5-trifluoromethylsulfonyloxy-7,8-dihydro-8,8-dimethylnapth-3-yl)ethynyl]benzoateEthyl 4-((5,5-dimethyl-8-(trifluoromethylsulfonyloxy)-5,6-dihydronaphthalen-2-yl)ethynyl)benzoateEthyl 4-({5,5-dimethyl-8-[(trifluoromethanesulfonyl)oxy]-5,6-dihydronaphthalen-2-yl}ethynyl)benzoateethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl) oxy-2-naphthalenyl)ethynyl]benzoateethyl 4-[(5,6-dihydro-5,5-dimethyl-8-(trifluoromethylsulfonyl)oxy-2-naphthalenyl)ethynyl]benzoate
Quelle anzeigen →
An 80 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→