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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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