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13323-62-1 | 9-Octadecenoic acid (9Z)-, 1,1'-(dibutylstannylene) ester
CAS No: 13323-62-1 Catalog No: AG0014FF MDL No:MFCD00015302
Product Description
Catalog Number:
AG0014FF
Chemical Name:
9-Octadecenoic acid (9Z)-, 1,1'-(dibutylstannylene) ester
CAS Number:
13323-62-1
Molecular Formula:
C44H84O4Sn
Molecular Weight:
795.8364
MDL Number:
MFCD00015302
IUPAC Name:
[dibutyl-[(Z)-octadec-9-enoyl]oxystannyl] (Z)-octadec-9-enoate
InChI:
InChI=1S/2C18H34O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*10-9-;;;
InChI Key:
AWFFJJAOMMAGFE-BGSQTJHASA-L
SMILES:
CCCC[Sn+2]CCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-]
EC Number:
236-359-7
NSC Number:
221307
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
796.539g/mol
Formal Charge:
0
Heavy Atom Count:
49
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
795.862g/mol
Monoisotopic Mass:
796.539g/mol
Rotatable Bond Count:
40
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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