Lignin_cw_compound_3047

Lignin_cw_compound_3047 bmse010367 - Data

Lignin_cw_compound_3047 synonyms

Unnamed

Wikipedia:

Graphical representations:

lignin_cw_compound_3047

View large 3D structure

Molecular Formula: C15H20O3S2

Natural Isotopic Abundance Mass: 312.4475

Mono-Isotopic Molecular Masses:

  • C12N14: 312.0853858883
  • C13N14: 327.1357084553
  • C12N15: 312.0853858883
  • C13N15: 327.1357084553

InChI string: InChI=1S/C15H20O3S2/c1-5-19-11-8-9-7-10(17-3)13(16)14(18-4)12(9)15(11)20-6-2/h7-8,15-16H,5-6H2,1-4H3/t15-/m0/s1

USDA_NMR_database: 3047

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)