(Z,Z)-1,1,3,3-TETRAMETHYL-1,3-BIS[(1-OXOOCTADEC-9-ENYL)OXY]DISTANNOXANE

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key PSPGDGGOJDGOST-MNHRHIJMSA-L
Smiles O=C(O[Sn](O[Sn](OC(=O)CCCCCCCC=CCCCCCCCC)(C)C)(C)C)CCCCCCCC=CCCCCCCCC
InChI
InChI=1/2C18H34O2.4CH3.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1H3;;;/q;;;;;;;2*+1/p-2/rC40H78O5Sn2/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(41)43-46(3,4)45-47(5,6)44-40(42)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-2/h21-24H,7-20,25-38H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H78O5Sn2
Molecular Weight 878.39
AlogP 13.57
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 34.0
Polar Surface Area 61.83
Heavy Atoms 47.0

Cross References

Resources Reference
CAS NUMBER 43136-18-1
NORMAN SUSDAT
PubChem 20839524
CONTENTS