S-[4-[2-[3-dodecyl-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-[3-dodecyl-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[3-dodecyl-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[3-dodecyl-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[3-dodecyl-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[3-lauryl-4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl] ester Formula: C33H44OSSi MolecularWeight: 516.85236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)SC(=O)C)C#C[Si](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)SC(=O)C)C#C[Si](C)(C)C

InChI

InChI=1S/C33H44OSSi/c1-6-7-8-9-10-11-12-13-14-15-16-32-27-30(19-22-31(32)25-26-36(3,4)5)18-17-29-20-23-33(24-21-29)35-28(2)34/h19-24,27H,6-16H2,1-5H3