2-methylpropyl (E)-octadec-9-enoate; propane-1,2,3-triol

Systemtic Name: 2-methylpropyl (E)-octadec-9-enoate; propane-1,2,3-triol Openeye Name: glycerol; isobutyl (E)-octadec-9-enoate CAS Name: (E)-9-octadecenoic acid 2-methylpropyl ester; propane-1,2,3-triol IUPAC Name: 2-methylpropyl (E)-octadec-9-enoate; propane-1,2,3-triol Traditional Name: glycerol; (E)-octadec-9-enoic acid isobutyl ester Formula: C25H50O5 MolecularWeight: 430.6615

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C)C.C(C(CO)O)O

InChI

InChI=1S/C22H42O2.C3H8O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)24-20-21(2)3;4-1-3(6)2-5/h11-12,21H,4-10,13-20H2,1-3H3;3-6H,1-2H2/b12-11+;