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Lignin_cw_compound_1027 synonyms

Acetic acid 2-methoxy-4-[2-(2-methoxyphenoxy) acetyl] phenyl ester


Graphical representations:

lignin_cw_compound_1027 image

View large 3D structure

Molecular Formula: C18 H18 O6

Natural Isotopic Abundance Mass: 330.33192

Mono-Isotopic Molecular Masses:

  • C12N14: 330.1103383104
  • C13N14: 348.1707253908
  • C12N15: 330.1103383104
  • C13N15: 348.1707253908

InChI String: InChI=1S/C18H18O6/c1-12(19)24-17-9-8-13(10-18(17)22-3)14(20)11-23-16-7-5-4-6-15(16)21-2/h4-10H,11H2,1-3H3

Canonical and Isomeric SMILES: CC(=O)OC1=C(C=C(C=C1)C(COC2=CC=CC=C2OC)=O)OC

Acetic acid 2-methoxy-4-[2-(2-methoxyphenoxy) acetyl] phenyl ester

PubChem Substance (SID):   n/a
PubChem Compound (CID):   n/a
KEGG: Compound ID   n/a
CAS Registry IDs:   n/a
PDB Chemical Component   n/a
NMR Lignin Database 1027
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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,