26
IUPAC name: 1-(2-hydroxyphenyl)-2-methylbutane-1,3-dione, SMILES: CC(C(C)=O)C(=O)C1=CC=CC=C1O
C -3.24936 -0.212182 0.190882
C -3.01801 -0.0802601 1.55311
C -1.7187 0.143077 2.0465
C -0.658905 0.237377 1.15805
C -0.85036 0.110814 -0.240083
C -2.18086 -0.127187 -0.722042
C 0.257368 0.192893 -1.20091
O -2.46179 -0.277404 -2.02665
O 0.0637521 0.021523 -2.42106
C 1.687 0.513911 -0.736396
C 1.82965 1.96165 -0.236582
C 2.26431 -0.537731 0.241396
O 2.83801 -0.218511 1.26503
C 2.09562 -1.98435 -0.18481
H -4.2473 -0.390066 -0.201691
H -3.85485 -0.151744 2.24553
H -1.54519 0.241444 3.115
H 0.337705 0.411287 1.5486
H -1.5891 -0.204256 -2.50899
H 2.28669 0.397982 -1.65101
H 1.23053 2.14235 0.660044
H 1.50728 2.65825 -1.0195
H 2.87801 2.15978 0.0111843
H 2.38148 -2.11343 -1.23712
H 1.03194 -2.25389 -0.109562
H 2.68509 -2.64132 0.461071
