Lignin_cw_compound_3049

Lignin_cw_compound_3049 bmse010508 - Data

Lignin_cw_compound_3049 synonyms

2,3-bis-ethylsulfanyl-6-methoxy-1H-inden-5-ol

Wikipedia:

Graphical representations:

lignin_cw_compound_3049

View large 3D structure

Molecular Formula: C14H18O2S2

Natural Isotopic Abundance Mass: 282.42152

Mono-Isotopic Molecular Masses:

  • C12N14: 282.074821202
  • C13N14: 296.1217889312
  • C12N15: 282.074821202
  • C13N15: 296.1217889312

InChI string: InChI=1S/C14H18O2S2/c1-4-17-13-7-9-6-12(16-3)11(15)8-10(9)14(13)18-5-2/h6,8,15H,4-5,7H2,1-3H3

USDA_NMR_database: 3049

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)