methyl octadecanoate sulfate

Systemtic Name: methyl octadecanoate sulfate Openeye Name: methyl octadecanoate sulfate CAS Name: octadecanoic acid methyl ester sulfate IUPAC Name: methyl octadecanoate sulfate Traditional Name: stearic acid methyl ester sulfate Formula: C19H38O6S-2 MolecularWeight: 394.56642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H38O2.H2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2;1-5(2,3)4/h3-18H2,1-2H3;(H2,1,2,3,4)/p-2