propyl (E)-octadec-9-enoate sulfate

Systemtic Name: propyl (E)-octadec-9-enoate sulfate Openeye Name: propyl (E)-octadec-9-enoate sulfate CAS Name: (E)-9-octadecenoic acid propyl ester sulfate IUPAC Name: propyl (E)-octadec-9-enoate sulfate Traditional Name: (E)-octadec-9-enoic acid propyl ester sulfate Formula: C21H40O6S-2 MolecularWeight: 420.6037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCCC.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C21H40O2.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/h11-12H,3-10,13-20H2,1-2H3;(H2,1,2,3,4)/p-2/b12-11+;