hexyl 3-sulfooxypropanoate

Systemtic Name: hexyl 3-sulfooxypropanoate Openeye Name: hexyl 3-sulfooxypropanoate CAS Name: 3-sulfooxypropanoic acid hexyl ester IUPAC Name: hexyl 3-sulfooxypropanoate Traditional Name: 3-sulfoxypropionic acid hexyl ester Formula: C9H18O6S MolecularWeight: 254.30062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCOC(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C9H18O6S/c1-2-3-4-5-7-14-9(10)6-8-15-16(11,12)13/h2-8H2,1H3,(H,11,12,13)