dodecanoate; octadecanoate; (E)-octadec-9-enoate

Systemtic Name: dodecanoate; octadecanoate; (E)-octadec-9-enoate Openeye Name: dodecanoate; octadecanoate; (E)-octadec-9-enoate CAS Name: dodecanoate; octadecanoate; (E)-9-octadecenoate IUPAC Name: dodecanoate; octadecanoate; (E)-octadec-9-enoate Traditional Name: laurate; (E)-octadec-9-enoate; stearate Formula: C48H91O6-3 MolecularWeight: 764.23254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCC=CCCCCCCCC(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.C18H34O2.C12H24O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);2-11H2,1H3,(H,13,14)/p-3/b;10-9+;