methyl (E,8R,9S,11R)-8-iodanyl-14-oxidanylidene-9,11-bis(triethylsilyloxy)tetradec-12-en-5-ynoate

Systemtic Name: methyl (E,8R,9S,11R)-8-iodanyl-14-oxidanylidene-9,11-bis(triethylsilyloxy)tetradec-12-en-5-ynoate Openeye Name: methyl (E,8R,9S,11R)-8-iodo-14-oxo-9,11-bis(triethylsilyloxy)tetradec-12-en-5-ynoate CAS Name: (E,8R,9S,11R)-8-iodo-14-oxo-9,11-bis(triethylsilyloxy)tetradec-12-en-5-ynoic acid methyl ester IUPAC Name: methyl (E,8R,9S,11R)-8-iodo-14-oxo-9,11-bis(triethylsilyloxy)tetradec-12-en-5-ynoate Traditional Name: (E,8R,9S,11R)-8-iodo-14-keto-9,11-bis(triethylsilyloxy)tetradec-12-en-5-ynoic acid methyl ester Formula: C27H49IO5Si2 MolecularWeight: 636.75043

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Descriptors Computed from Structure

Canonical SMILES:

CC[Si](CC)(CC)OC(CC(C(CC#CCCCC(=O)OC)I)O[Si](CC)(CC)CC)C=CC=O

Isomeric SMILES

CC[Si](CC)(CC)O[C@H](C[C@@H]([C@@H](CC#CCCCC(=O)OC)I)O[Si](CC)(CC)CC)/C=C/C=O

InChI

InChI=1S/C27H49IO5Si2/c1-8-34(9-2,10-3)32-24(19-18-22-29)23-26(33-35(11-4,12-5)13-6)25(28)20-16-14-15-17-21-27(30)31-7/h18-19,22,24-26H,8-13,15,17,20-21,23H2,1-7H3/b19-18+/t24-,25+,26-/m0/s1