1-ethoxyethyl (E)-octadec-9-enoate sulfate

Systemtic Name: 1-ethoxyethyl (E)-octadec-9-enoate sulfate Openeye Name: 1-ethoxyethyl (E)-octadec-9-enoate sulfate CAS Name: (E)-9-octadecenoic acid 1-ethoxyethyl ester sulfate IUPAC Name: 1-ethoxyethyl (E)-octadec-9-enoate sulfate Traditional Name: (E)-octadec-9-enoic acid 1-ethoxyethyl ester sulfate Formula: C22H42O7S-2 MolecularWeight: 450.62968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(C)OCC.[O-]S(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H42O3.H2O4S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)25-21(3)24-5-2;1-5(2,3)4/h12-13,21H,4-11,14-20H2,1-3H3;(H2,1,2,3,4)/p-2/b13-12+;