[(6E,14E)-10,11-bis(oxidanyl)-12-(phenylcarbonyloxy)icosa-6,14-dien-9-yl] benzoate

Systemtic Name: [(6E,14E)-10,11-bis(oxidanyl)-12-(phenylcarbonyloxy)icosa-6,14-dien-9-yl] benzoate Openeye Name: [(E)-4-benzoyloxy-2,3-dihydroxy-1-[(E)-oct-2-enyl]dodec-6-enyl] benzoate CAS Name: benzoic acid [(6E,14E)-12-benzoyloxy-10,11-dihydroxyeicosa-6,14-dien-9-yl] ester IUPAC Name: [(6E,14E)-12-benzoyloxy-10,11-dihydroxyicosa-6,14-dien-9-yl] benzoate Traditional Name: benzoic acid [(E)-4-benzoyloxy-2,3-dihydroxy-1-[(E)-oct-2-enyl]dodec-6-enyl] ester Formula: C34H46O6 MolecularWeight: 550.72544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C(C(C(CC=CCCCCC)OC(=O)C1=CC=CC=C1)O)O)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC/C=C/CC(OC(=O)C1=CC=CC=C1)C(O)C(O)C(OC(=O)C2=CC=CC=C2)C/C=C/CCCCC

InChI

InChI=1S/C34H46O6/c1-3-5-7-9-11-19-25-29(39-33(37)27-21-15-13-16-22-27)31(35)32(36)30(26-20-12-10-8-6-4-2)40-34(38)28-23-17-14-18-24-28/h11-24,29-32,35-36H,3-10,25-26H2,1-2H3/b19-11+,20-12+