octanoate; propane-1,2-diol

Systemtic Name: octanoate; propane-1,2-diol Openeye Name: octanoate; propane-1,2-diol CAS Name: octanoate; propane-1,2-diol IUPAC Name: octanoate; propane-1,2-diol Traditional Name: caprylate; propane-1,2-diol Formula: C11H23O4- MolecularWeight: 219.29792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-7H2,1H3,(H,9,10);3-5H,2H2,1H3/p-1