decanoate; octanoate; propane-1,2-diol

Systemtic Name: decanoate; octanoate; propane-1,2-diol Openeye Name: decanoate; octanoate; propane-1,2-diol CAS Name: decanoate; octanoate; propane-1,2-diol IUPAC Name: decanoate; octanoate; propane-1,2-diol Traditional Name: caprate; caprylate; propane-1,2-diol Formula: C21H42O6-2 MolecularWeight: 390.55458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H20O2.C8H16O2.C3H8O2/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;1-3(5)2-4/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);3-5H,2H2,1H3/p-2