propyl octadecanoate sulfate

Systemtic Name: propyl octadecanoate sulfate Openeye Name: propyl octadecanoate sulfate CAS Name: octadecanoic acid propyl ester sulfate IUPAC Name: propyl octadecanoate sulfate Traditional Name: stearic acid propyl ester sulfate Formula: C21H42O6S-2 MolecularWeight: 422.61958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H42O2.H2O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2;1-5(2,3)4/h3-20H2,1-2H3;(H2,1,2,3,4)/p-2