(E)-2,2,12-tris(oxidanyl)octadec-9-enoate

Systemtic Name: (E)-2,2,12-tris(oxidanyl)octadec-9-enoate Openeye Name: (E)-2,2,12-trihydroxyoctadec-9-enoate CAS Name: (E)-2,2,12-trihydroxy-9-octadecenoate IUPAC Name: (E)-2,2,12-trihydroxyoctadec-9-enoate Traditional Name: (E)-2,2,12-trihydroxyoctadec-9-enoate Formula: C18H33O5- MolecularWeight: 329.45162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C(=O)[O-])(O)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C(=O)[O-])(O)O)O

InChI

InChI=1S/C18H34O5/c1-2-3-4-10-13-16(19)14-11-8-6-5-7-9-12-15-18(22,23)17(20)21/h8,11,16,19,22-23H,2-7,9-10,12-15H2,1H3,(H,20,21)/p-1/b11-8+