ethyl (E,5S,6S)-5,6-bis(oxidanyl)-8-[2-[(E)-3-oxidanyloct-1-enyl]phenyl]oct-7-enoate

Systemtic Name: ethyl (E,5S,6S)-5,6-bis(oxidanyl)-8-[2-[(E)-3-oxidanyloct-1-enyl]phenyl]oct-7-enoate Openeye Name: ethyl (E,5S,6S)-5,6-dihydroxy-8-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]oct-7-enoate CAS Name: (E,5S,6S)-5,6-dihydroxy-8-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]-7-octenoic acid ethyl ester IUPAC Name: ethyl (E,5S,6S)-5,6-dihydroxy-8-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]oct-7-enoate Traditional Name: (E,5S,6S)-5,6-dihydroxy-8-[2-[(E)-3-hydroxyoct-1-enyl]phenyl]oct-7-enoic acid ethyl ester Formula: C24H36O5 MolecularWeight: 404.53964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1=CC=CC=C1C=CC(C(CCCC(=O)OCC)O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1=CC=CC=C1/C=C/[C@@H]([C@H](CCCC(=O)OCC)O)O)O

InChI

InChI=1S/C24H36O5/c1-3-5-6-12-21(25)17-15-19-10-7-8-11-20(19)16-18-23(27)22(26)13-9-14-24(28)29-4-2/h7-8,10-11,15-18,21-23,25-27H,3-6,9,12-14H2,1-2H3/b17-15+,18-16+/t21?,22-,23-/m0/s1