octadecyl 3-sulfooxypropanoate

Systemtic Name: octadecyl 3-sulfooxypropanoate Openeye Name: octadecyl 3-sulfooxypropanoate CAS Name: 3-sulfooxypropanoic acid octadecyl ester IUPAC Name: octadecyl 3-sulfooxypropanoate Traditional Name: 3-sulfoxypropionic acid stearyl ester Formula: C21H42O6S MolecularWeight: 422.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C21H42O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-26-21(22)18-20-27-28(23,24)25/h2-20H2,1H3,(H,23,24,25)