[(E,3S,5S,9R,11R)-13-[tert-butyl(diphenyl)silyl]oxy-8-oxidanylidene-3,5,9,11-tetrakis(phenylmethoxy)tridec-6-enyl] benzoate

Systemtic Name: [(E,3S,5S,9R,11R)-13-[tert-butyl(diphenyl)silyl]oxy-8-oxidanylidene-3,5,9,11-tetrakis(phenylmethoxy)tridec-6-enyl] benzoate Openeye Name: [(E,3S,5S,9R,11R)-3,5,9,11-tetrabenzyloxy-13-[tert-butyl(diphenyl)silyl]oxy-8-oxo-tridec-6-enyl] benzoate CAS Name: benzoic acid [(E,3S,5S,9R,11R)-13-[tert-butyl(diphenyl)silyl]oxy-8-oxo-3,5,9,11-tetrakis(phenylmethoxy)tridec-6-enyl] ester IUPAC Name: [(E,3S,5S,9R,11R)-13-[tert-butyl(diphenyl)silyl]oxy-8-oxo-3,5,9,11-tetrakis(phenylmethoxy)tridec-6-enyl] benzoate Traditional Name: benzoic acid [(E,3S,5S,9R,11R)-3,5,9,11-tetrabenzoxy-13-[tert-butyl(diphenyl)silyl]oxy-8-keto-tridec-6-enyl] ester Formula: C64H70O8Si MolecularWeight: 995.3213

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCCC(CC(C(=O)C=CC(CC(CCOC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC[C@H](C[C@H](C(=O)/C=C/[C@H](C[C@H](CCOC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C64H70O8Si/c1-64(2,3)73(59-35-21-9-22-36-59,60-37-23-10-24-38-60)72-44-42-58(70-49-53-29-15-6-16-30-53)46-62(71-50-54-31-17-7-18-32-54)61(65)40-39-56(68-47-51-25-11-4-12-26-51)45-57(69-48-52-27-13-5-14-28-52)41-43-67-63(66)55-33-19-8-20-34-55/h4-40,56-58,62H,41-50H2,1-3H3/b40-39+/t56-,57+,58-,62-/m1/s1