octadecanoate; (E)-octadec-9-enoate

Systemtic Name: octadecanoate; (E)-octadec-9-enoate Openeye Name: octadecanoate; (E)-octadec-9-enoate CAS Name: octadecanoate; (E)-9-octadecenoate IUPAC Name: octadecanoate; (E)-octadec-9-enoate Traditional Name: (E)-octadec-9-enoate; stearate Formula: C54H101O6-3 MolecularWeight: 846.37614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36O2.2C18H34O2/c3*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);2*9-10H,2-8,11-17H2,1H3,(H,19,20)/p-3/b;2*10-9+