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Emamectin Benzoate

CAS: 155569-91-8
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155569-91-8

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1 Emamectin benzoate
2 Proclaim
3 Methylamino abamectin benzoate
4 MK-244
5 MK 244

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Molecular Formula C56H81NO15
Canonical SMILES
Isomeric SMILES
Molecular Weight 1008.2000
InChIKey GCKZANITAMOIAR-XWVCPFKXSA-N
InChI InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+;/m0./s1
XLogP 0.0000
ExactMass 1007.5606
MonoisotopicMass 1007.5606
TPSA 199.0000
Complexity 1850.0000
Charge 0.0000
HBondDonorCount 4
HBondAcceptorCount 16
RotatableBondCount 10
HeavyAtomCount 72
IsotopeAtomCount 0
AtomStereoCount 20
DefinedAtomStereoCount 20
UndefinedAtomStereoCount 0
BondStereoCount 3
DefinedBondStereoCount 3
UndefinedBondStereoCount 0
CovalentUnitCount 2
PatentCount 192
PatentFamilyCount 81
LiteratureCount 344