CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CC(CC=CCBr)C(=O)OC)O
الاسم: methyl 2-(4-bromobut-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate
SMILES: CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CC(CC=CCBr)C(=O)OC)O

Molecular Processing

Molecular formula
C22H27BrO6
Molecular weight
467.36
Exact mass
466.0991
XLogP
4.39
TPSA
82.06
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
29
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
113.65

Supplementary Information

InChIKey: FOFPUDHYVLQULX-UHFFFAOYSA-N
مرادفات
SCHEMBL1374252FOFPUDHYVLQULX-UHFFFAOYSA-N2-(4-bromo-but-2-enyl)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-isobenzofuran-5-yl)-4-methyl-hex-4-enoic acid methyl ester
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