Sethoxydim Sulfoxide - CAS 114480-24-9
Catalog: |
BB057834 |
Product Name: |
Sethoxydim Sulfoxide |
CAS: |
114480-24-9 |
Synonyms: |
Sethoxydim sulfoxide; 2-(1-(Ethoxyamino)butylidene)-5-(2-ethylsulfinylpropyl)cyclohexane-1,3-dione |
IUPAC Name: | 2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfinylpropyl)-3-hydroxycyclohex-2-en-1-one |
Molecular Weight: | 343.48 |
Molecular Formula: | C17H29NO4S |
Canonical SMILES: | CCCC(=NOCC)C1=C(CC(CC1=O)CC(C)S(=O)CC)O |
InChI: | InChI=1S/C17H29NO4S/c1-5-8-14(18-22-6-2)17-15(19)10-13(11-16(17)20)9-12(4)23(21)7-3/h12-13,19H,5-11H2,1-4H3/b18-14+ |
InChI Key: | JSINUQQVQZIIPI-NBVRZTHBSA-N |
References: | Chen, Weixuan., et al. Sepu, Volume 10, Issue6, 371-2, 338 (1992). |
Complexity: | 499 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 343.18172958 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.18172958 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 95.2Ų |
Undefined Atom Stereocenter Count: | 3 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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