hexyl 3-[2-(3-hexoxycarbonyl-5-iodanyl-phenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoate

Systemtic Name: hexyl 3-[2-(3-hexoxycarbonyl-5-iodanyl-phenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoate Openeye Name: hexyl 3-[2-(3-hexoxycarbonyl-5-iodo-phenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoate CAS Name: 3-[2-[3-[hexoxy(oxo)methyl]-5-iodophenyl]ethynyl]-5-(2-trimethylsilylethynyl)benzoic acid hexyl ester IUPAC Name: hexyl 3-[2-(3-hexoxycarbonyl-5-iodophenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoate Traditional Name: 3-[2-(3-hexoxycarbonyl-5-iodo-phenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoic acid hexyl ester Formula: C33H41IO4Si MolecularWeight: 656.66621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC(=CC(=C1)C#C[Si](C)(C)C)C#CC2=CC(=CC(=C2)I)C(=O)OCCCCCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC(=CC(=C1)C#C[Si](C)(C)C)C#CC2=CC(=CC(=C2)I)C(=O)OCCCCCC

InChI

InChI=1S/C33H41IO4Si/c1-6-8-10-12-17-37-32(35)29-21-26(20-28(23-29)16-19-39(3,4)5)14-15-27-22-30(25-31(34)24-27)33(36)38-18-13-11-9-7-2/h20-25H,6-13,17-18H2,1-5H3