methyl (E)-octadec-9-enoate sulfate

Systemtic Name: methyl (E)-octadec-9-enoate sulfate Openeye Name: methyl (E)-octadec-9-enoate sulfate CAS Name: (E)-9-octadecenoic acid methyl ester sulfate IUPAC Name: methyl (E)-octadec-9-enoate sulfate Traditional Name: (E)-octadec-9-enoic acid methyl ester sulfate Formula: C19H36O6S-2 MolecularWeight: 392.55054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H36O2.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/h10-11H,3-9,12-18H2,1-2H3;(H2,1,2,3,4)/p-2/b11-10+;