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

Systemtic Name: S-[4-[2-[3-dodecyl-4-[2-(4-ethanoylsulfanylphenyl)ethynyl]phenyl]ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-[4-[2-(4-acetylsulfanylphenyl)ethynyl]-3-dodecyl-phenyl]ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-[4-[2-[4-(acetylthio)phenyl]ethynyl]-3-dodecylphenyl]ethynyl]phenyl] ester IUPAC Name: S-[4-[2-[4-[2-(4-acetylsulfanylphenyl)ethynyl]-3-dodecylphenyl]ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-[4-[2-[4-(acetylthio)phenyl]ethynyl]-3-lauryl-phenyl]ethynyl]phenyl] ester Formula: C38H42O2S2 MolecularWeight: 594.86888

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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#CC3=CC=C(C=C3)SC(=O)C

Isomeric SMILES

CCCCCCCCCCCCC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)SC(=O)C)C#CC3=CC=C(C=C3)SC(=O)C

InChI

InChI=1S/C38H42O2S2/c1-4-5-6-7-8-9-10-11-12-13-14-36-29-34(16-15-32-19-25-37(26-20-32)41-30(2)39)18-24-35(36)23-17-33-21-27-38(28-22-33)42-31(3)40/h18-22,24-29H,4-14H2,1-3H3