butyl hexadecanoate sulfate

Systemtic Name: butyl hexadecanoate sulfate Openeye Name: butyl hexadecanoate sulfate CAS Name: hexadecanoic acid butyl ester sulfate IUPAC Name: butyl hexadecanoate sulfate Traditional Name: palmitic acid butyl ester sulfate Formula: C20H40O6S-2 MolecularWeight: 408.593

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCCCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C20H40O2.H2O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2;1-5(2,3)4/h3-19H2,1-2H3;(H2,1,2,3,4)/p-2