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

Systemtic Name: hexyl 3-[2-(3-hexoxy-5-iodanyl-phenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoate Openeye Name: hexyl 3-[2-(3-hexoxy-5-iodo-phenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoate CAS Name: 3-[2-(3-hexoxy-5-iodophenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoic acid hexyl ester IUPAC Name: hexyl 3-[2-(3-hexoxy-5-iodophenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoate Traditional Name: 3-[2-(3-hexoxy-5-iodo-phenyl)ethynyl]-5-(2-trimethylsilylethynyl)benzoic acid hexyl ester Formula: C32H41IO3Si MolecularWeight: 628.65611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(=CC(=C1)C#CC2=CC(=CC(=C2)C(=O)OCCCCCC)C#C[Si](C)(C)C)I

Isomeric SMILES

CCCCCCOC1=CC(=CC(=C1)C#CC2=CC(=CC(=C2)C(=O)OCCCCCC)C#C[Si](C)(C)C)I

InChI

InChI=1S/C32H41IO3Si/c1-6-8-10-12-17-35-31-24-27(23-30(33)25-31)15-14-26-20-28(16-19-37(3,4)5)22-29(21-26)32(34)36-18-13-11-9-7-2/h20-25H,6-13,17-18H2,1-5H3