Se-phenyl (5E,9E,13E,17E,21E,25E,29E)-5,9,13,17,21,25,29-heptamethyl-31-oxidanyl-hentriaconta-5,9,13,17,21,25,29-heptaeneselenoate

Systemtic Name: Se-phenyl (5E,9E,13E,17E,21E,25E,29E)-5,9,13,17,21,25,29-heptamethyl-31-oxidanyl-hentriaconta-5,9,13,17,21,25,29-heptaeneselenoate Openeye Name: Se-phenyl (5E,9E,13E,17E,21E,25E,29E)-31-hydroxy-5,9,13,17,21,25,29-heptamethyl-hentriaconta-5,9,13,17,21,25,29-heptaeneselenoate CAS Name: (5E,9E,13E,17E,21E,25E,29E)-31-hydroxy-5,9,13,17,21,25,29-heptamethylhentriaconta-5,9,13,17,21,25,29-heptaeneselenoic acid Se-phenyl ester IUPAC Name: Se-phenyl (5E,9E,13E,17E,21E,25E,29E)-31-hydroxy-5,9,13,17,21,25,29-heptamethylhentriaconta-5,9,13,17,21,25,29-heptaeneselenoate Traditional Name: (5E,9E,13E,17E,21E,25E,29E)-31-hydroxy-5,9,13,17,21,25,29-heptamethyl-hentriaconta-5,9,13,17,21,25,29-heptaeneselenoic acid Se-phenyl ester Formula: C44H66O2Se MolecularWeight: 705.95364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)CCCC(=O)[Se]C1=CC=CC=C1

Isomeric SMILES

C/C(=C\CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO)/C)/C)/C)/C)/C)/C)/CCCC(=O)[Se]C1=CC=CC=C1

InChI

InChI=1S/C44H66O2Se/c1-36(20-12-21-38(3)24-14-25-40(5)28-16-29-42(7)34-35-45)18-11-19-37(2)22-13-23-39(4)26-15-27-41(6)30-17-33-44(46)47-43-31-9-8-10-32-43/h8-10,19-20,23-24,27-28,31-32,34,45H,11-18,21-22,25-26,29-30,33,35H2,1-7H3/b36-20+,37-19+,38-24+,39-23+,40-28+,41-27+,42-34+