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

Systemtic Name: S-[4-[2-(3-dodecyl-4-ethynyl-phenyl)ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-(3-dodecyl-4-ethynyl-phenyl)ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-(3-dodecyl-4-ethynylphenyl)ethynyl]phenyl] ester IUPAC Name: S-[4-[2-(3-dodecyl-4-ethynylphenyl)ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-(4-ethynyl-3-lauryl-phenyl)ethynyl]phenyl] ester Formula: C30H36OS MolecularWeight: 444.67124

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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

Isomeric SMILES

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

InChI

InChI=1S/C30H36OS/c1-4-6-7-8-9-10-11-12-13-14-15-29-24-27(18-21-28(29)5-2)17-16-26-19-22-30(23-20-26)32-25(3)31/h2,18-24H,4,6-15H2,1,3H3