2-methylpropyl (Z)-octadec-9-enoate; sulfuric acid

Systemtic Name: 2-methylpropyl (Z)-octadec-9-enoate; sulfuric acid Openeye Name: isobutyl (Z)-octadec-9-enoate; sulfuric acid CAS Name: (Z)-9-octadecenoic acid 2-methylpropyl ester; sulfuric acid IUPAC Name: 2-methylpropyl (Z)-octadec-9-enoate; sulfuric acid Traditional Name: (Z)-octadec-9-enoic acid isobutyl ester; sulfuric acid Formula: C22H44O6S MolecularWeight: 436.64616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OCC(C)C.OS(=O)(=O)O

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)C.OS(=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)/b12-11-;