(9E,12E)-octadeca-9,12-dienoate; octadecanoate

Systemtic Name: (9E,12E)-octadeca-9,12-dienoate; octadecanoate Openeye Name: (9E,12E)-octadeca-9,12-dienoate; octadecanoate CAS Name: (9E,12E)-octadeca-9,12-dienoate; octadecanoate IUPAC Name: (9E,12E)-octadeca-9,12-dienoate; octadecanoate Traditional Name: (9E,12E)-octadeca-9,12-dienoate; stearate Formula: C36H66O4-2 MolecularWeight: 562.90684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCC=CCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCC/C=C/C/C=C/CCCCCCCC(=O)[O-]

InChI

InChI=1S/C18H36O2.C18H32O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/p-2/b;7-6+,10-9+