(E)-octadec-9-enoate; propane-1,2-diol

Systemtic Name: (E)-octadec-9-enoate; propane-1,2-diol Openeye Name: (E)-octadec-9-enoate; propane-1,2-diol CAS Name: (E)-9-octadecenoate; propane-1,2-diol IUPAC Name: (E)-octadec-9-enoate; propane-1,2-diol Traditional Name: (E)-octadec-9-enoate; propane-1,2-diol Formula: C21H41O4- MolecularWeight: 357.54784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CC(CO)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CC(CO)O

InChI

InChI=1S/C18H34O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3(5)2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);3-5H,2H2,1H3/p-1/b10-9+;