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308357-81-5 | Thiazole, 4-[(1E,3S,5Z,10S)-3,11-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,6,10-trimethyl-8-(phenylsulfonyl)-1,5-undecadien-1-yl]-2-methyl-
CAS No: 308357-81-5 Catalog No: AG0031GK MDL No:
Product Description
Catalog Number:
AG0031GK
Chemical Name:
Thiazole, 4-[(1E,3S,5Z,10S)-3,11-bis[[(1,1-dimethylethyl)dimethylsilyl]oxy]-2,6,10-trimethyl-8-(phenylsulfonyl)-1,5-undecadien-1-yl]-2-methyl-
CAS Number:
308357-81-5
Molecular Formula:
C36H61NO4S2Si2
Molecular Weight:
692.1748
IUPAC Name:
[(2S,6Z,9S,10E)-4-(benzenesulfonyl)-9-[tert-butyl(dimethyl)silyl]oxy-2,6,10-trimethyl-11-(2-methyl-1,3-thiazol-4-yl)undeca-6,10-dienoxy]-tert-butyl-dimethylsilane
InChI:
InChI=1S/C36H61NO4S2Si2/c1-27(20-21-34(41-45(13,14)36(8,9)10)29(3)24-31-26-42-30(4)37-31)22-33(43(38,39)32-18-16-15-17-19-32)23-28(2)25-40-44(11,12)35(5,6)7/h15-20,24,26,28,33-34H,21-23,25H2,1-14H3/b27-20-,29-24+/t28-,33?,34-/m0/s1
InChI Key:
YKXYTSHOAIXBSR-COVLIRCOSA-N
SMILES:
C[C@@H](CC(S(=O)(=O)c1ccccc1)C/C(=C\C[C@@H](/C(=C/c1csc(n1)C)/C)O[Si](C(C)(C)C)(C)C)/C)CO[Si](C(C)(C)C)(C)C
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
2
Exact Mass:
691.358g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
692.177g/mol
Monoisotopic Mass:
691.358g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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