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

Systemtic Name: octadecanoate; (E)-octadec-9-enoate; chloride Openeye Name: octadecanoate; (E)-octadec-9-enoate; chloride CAS Name: octadecanoate; (E)-9-octadecenoate; chloride IUPAC Name: octadecanoate; (E)-octadec-9-enoate; chloride Traditional Name: (E)-octadec-9-enoate; stearate; chloride Formula: C36H68ClO4-3 MolecularWeight: 600.37572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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