[(E)-hex-1-enyl] 2-sulfooxyhexanoate

Systemtic Name: [(E)-hex-1-enyl] 2-sulfooxyhexanoate Openeye Name: [(E)-hex-1-enyl] 2-sulfooxyhexanoate CAS Name: 2-sulfooxyhexanoic acid [(E)-hex-1-enyl] ester IUPAC Name: [(E)-hex-1-enyl] 2-sulfooxyhexanoate Traditional Name: 2-sulfoxyhexanoic acid [(E)-hex-1-enyl] ester Formula: C12H22O6S MolecularWeight: 294.36448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O6S/c1-3-5-7-8-10-17-12(13)11(9-6-4-2)18-19(14,15)16/h8,10-11H,3-7,9H2,1-2H3,(H,14,15,16)/b10-8+