bmse010366 lignin_cw_compound

lignin_cw_compound_3046
bmse010366 - data

lignin_cw_compound_3046

Molecular Formula: C15 H20 O3 S2
Natural Isotopic Abundance Mass: 312.4475
Mono-Isotopic Molecular Masses: C12N14: 312.0853858883; C13N14: 327.1357084553; C12N15: 312.0853858883; C13N15: 327.1357084553

lignin_cw_compound_3046

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

Canonical and Isomeric SMILES:
CCSC2=C(C1=C(C(=C(C=C1C2)OC)O)OC)SCC

Beilstein
To be defined

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 3046
Miscellaneous Databases and IDs:   n/a

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.