(E)-octadec-9-enoate benzoate

Systemtic Name: (E)-octadec-9-enoate benzoate Openeye Name: (E)-octadec-9-enoate benzoate CAS Name: (E)-9-octadecenoate benzoate IUPAC Name: (E)-octadec-9-enoate benzoate Traditional Name: (E)-octadec-9-enoate benzoate Formula: C25H38O4-2 MolecularWeight: 402.56682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C18H34O2.C7H6O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-7(9)6-4-2-1-3-5-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);1-5H,(H,8,9)/p-2/b10-9+;