[(E)-hex-1-enyl] 3-sulfooxybutanoate

Systemtic Name: [(E)-hex-1-enyl] 3-sulfooxybutanoate Openeye Name: [(E)-hex-1-enyl] 3-sulfooxybutanoate CAS Name: 3-sulfooxybutanoic acid [(E)-hex-1-enyl] ester IUPAC Name: [(E)-hex-1-enyl] 3-sulfooxybutanoate Traditional Name: 3-sulfoxybutyric acid [(E)-hex-1-enyl] ester Formula: C10H18O6S MolecularWeight: 266.31132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=COC(=O)CC(C)OS(=O)(=O)O

Isomeric SMILES

CCCC/C=C/OC(=O)CC(C)OS(=O)(=O)O

InChI

InChI=1S/C10H18O6S/c1-3-4-5-6-7-15-10(11)8-9(2)16-17(12,13)14/h6-7,9H,3-5,8H2,1-2H3,(H,12,13,14)/b7-6+