(E)-2-[2-[3,4-bis(oxidanyl)phenyl]ethyl]octadec-9-enoate

Systemtic Name: (E)-2-[2-[3,4-bis(oxidanyl)phenyl]ethyl]octadec-9-enoate Openeye Name: (E)-2-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enoate CAS Name: (E)-2-[2-(3,4-dihydroxyphenyl)ethyl]-9-octadecenoate IUPAC Name: (E)-2-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enoate Traditional Name: (E)-2-[2-(3,4-dihydroxyphenyl)ethyl]octadec-9-enoate Formula: C26H41O4- MolecularWeight: 417.60134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCC(CCC1=CC(=C(C=C1)O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCC(CCC1=CC(=C(C=C1)O)O)C(=O)[O-]

InChI

InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23(26(29)30)19-17-22-18-20-24(27)25(28)21-22/h9-10,18,20-21,23,27-28H,2-8,11-17,19H2,1H3,(H,29,30)/p-1/b10-9+