[(5S,6Z,8E,10E,12R,14Z)-12-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxidanylidene-icosa-6,8,10,14-tetraen-5-yl] benzoate

Systemtic Name: [(5S,6Z,8E,10E,12R,14Z)-12-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxidanylidene-icosa-6,8,10,14-tetraen-5-yl] benzoate Openeye Name: [(1S,2Z,4E,6E,8R,10Z)-8-[tert-butyl(diphenyl)silyl]oxy-1-(4-methoxy-4-oxo-butyl)hexadeca-2,4,6,10-tetraenyl] benzoate CAS Name: benzoic acid [(5S,6Z,8E,10E,12R,14Z)-12-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxoeicosa-6,8,10,14-tetraen-5-yl] ester IUPAC Name: [(5S,6Z,8E,10E,12R,14Z)-12-[tert-butyl(diphenyl)silyl]oxy-1-methoxy-1-oxoicosa-6,8,10,14-tetraen-5-yl] benzoate Traditional Name: benzoic acid [(1S,2Z,4E,6E,8R,10Z)-8-[tert-butyl(diphenyl)silyl]oxy-1-(4-keto-4-methoxy-butyl)hexadeca-2,4,6,10-tetraenyl] ester Formula: C44H56O5Si MolecularWeight: 692.99794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC=CC=CC(CCCC(=O)OC)OC(=O)C1=CC=CC=C1)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)OC)OC(=O)C1=CC=CC=C1)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C44H56O5Si/c1-6-7-8-9-10-19-29-39(49-50(44(2,3)4,40-32-21-14-22-33-40)41-34-23-15-24-35-41)30-20-12-11-18-28-38(31-25-36-42(45)47-5)48-43(46)37-26-16-13-17-27-37/h10-24,26-28,30,32-35,38-39H,6-9,25,29,31,36H2,1-5H3/b12-11+,19-10-,28-18-,30-20+/t38-,39-/m1/s1