TRIBUTYLSTANNYL BENZOATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D2156SHC1D
EPA CompTox DTXSID5034981

Structure

InChI Key JUEAPPHORMOWPK-UHFFFAOYSA-M
Smiles O=C(O[Sn](CCCC)(CCCC)CCCC)C=1C=CC=CC1
InChI
InChI=1/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC19H32O2Sn/c1-4-7-15-22(16-8-5-2,17-9-6-3)21-19(20)18-13-11-10-12-14-18/h10-14H,4-9,15-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32O2Sn
Molecular Weight 412.14
AlogP 6.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 26.3
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 4342-36-3
NORMAN SUSDAT
FDA SRS D2156SHC1D
CONTENTS