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18824-11-8 | 1,3,8,11-Tetraoxa-2-stannacyclopentadeca-5,13-diene-4,7,12,15-tetrone, 2,2-dibutyl-
CAS No: 18824-11-8 Catalog No: AG002GSH MDL No:
Product Description
Catalog Number:
AG002GSH
Chemical Name:
1,3,8,11-Tetraoxa-2-stannacyclopentadeca-5,13-diene-4,7,12,15-tetrone, 2,2-dibutyl-
CAS Number:
18824-11-8
Molecular Formula:
C18H26O8Sn
Molecular Weight:
489.0952
IUPAC Name:
(5E,13Z)-2,2-dibutyl-1,3,8,11-tetraoxa-2-stannacyclopentadeca-5,13-diene-4,7,12,15-tetrone
InChI:
InChI=1S/C10H10O8.2C4H9.Sn/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14;2*1-3-4-2;/h1-4H,5-6H2,(H,11,12)(H,13,14);2*1,3-4H2,2H3;/q;;;+2/p-2/b3-1-,4-2+;;;
InChI Key:
CEODJEYOIRWOQD-FSXDZTBKSA-L
SMILES:
CCCC[Sn]1(CCCC)OC(=O)C=CC(=O)OCCOC(=O)C=CC(=O)O1
EC Number:
242-602-8
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
490.065g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
489.108g/mol
Monoisotopic Mass:
490.065g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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