2-methylpropyl (E)-octadec-9-enoate sulfate

Systemtic Name: 2-methylpropyl (E)-octadec-9-enoate sulfate Openeye Name: isobutyl (E)-octadec-9-enoate sulfate CAS Name: (E)-9-octadecenoic acid 2-methylpropyl ester sulfate IUPAC Name: 2-methylpropyl (E)-octadec-9-enoate sulfate Traditional Name: (E)-octadec-9-enoic acid isobutyl ester sulfate Formula: C22H42O6S-2 MolecularWeight: 434.63028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O2.H2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3;1-5(2,3)4/h11-12,21H,4-10,13-20H2,1-3H3;(H2,1,2,3,4)/p-2/b12-11+;