1,2,2-triphenylethyl (E)-5-(oxan-2-yloxy)-2,3-bis(oxidanyl)docos-13-enoate

Systemtic Name: 1,2,2-triphenylethyl (E)-5-(oxan-2-yloxy)-2,3-bis(oxidanyl)docos-13-enoate Openeye Name: 1,2,2-triphenylethyl (E)-2,3-dihydroxy-5-tetrahydropyran-2-yloxy-docos-13-enoate CAS Name: (E)-2,3-dihydroxy-5-(2-oxanyloxy)-13-docosenoic acid 1,2,2-triphenylethyl ester IUPAC Name: 1,2,2-triphenylethyl (E)-2,3-dihydroxy-5-(oxan-2-yloxy)docos-13-enoate Traditional Name: (E)-2,3-dihydroxy-5-tetrahydropyran-2-yloxy-docos-13-enoic acid 1,2,2-triphenylethyl ester Formula: C47H66O6 MolecularWeight: 727.02334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(CC(C(C(=O)OC(C1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)O)O)OC4CCCCO4

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(CC(C(C(=O)OC(C1=CC=CC=C1)C(C2=CC=CC=C2)C3=CC=CC=C3)O)O)OC4CCCCO4

InChI

InChI=1S/C47H66O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25-34-41(52-43-35-26-27-36-51-43)37-42(48)45(49)47(50)53-46(40-32-23-18-24-33-40)44(38-28-19-16-20-29-38)39-30-21-17-22-31-39/h9-10,16-24,28-33,41-46,48-49H,2-8,11-15,25-27,34-37H2,1H3/b10-9+