butyl (Z)-octadec-9-enoate sulfate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42O2.H2O4S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2;1-5(2,3)4/h12-13H,3-11,14-21H2,1-2H3;(H2,1,2,3,4)/p-2/b13-12-;