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

Systemtic Name: [(E)-hex-1-enyl] 3-sulfooxypropanoate Openeye Name: [(E)-hex-1-enyl] 3-sulfooxypropanoate CAS Name: 3-sulfooxypropanoic acid [(E)-hex-1-enyl] ester IUPAC Name: [(E)-hex-1-enyl] 3-sulfooxypropanoate Traditional Name: 3-sulfoxypropionic acid [(E)-hex-1-enyl] ester Formula: C9H16O6S MolecularWeight: 252.28474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=COC(=O)CCOS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C9H16O6S/c1-2-3-4-5-7-14-9(10)6-8-15-16(11,12)13/h5,7H,2-4,6,8H2,1H3,(H,11,12,13)/b7-5+