S-[4-[2-(2,5-didodecoxy-4-iodanyl-phenyl)ethynyl]phenyl] ethanethioate

Systemtic Name: S-[4-[2-(2,5-didodecoxy-4-iodanyl-phenyl)ethynyl]phenyl] ethanethioate Openeye Name: S-[4-[2-(2,5-didodecoxy-4-iodo-phenyl)ethynyl]phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-[2-(2,5-didodecoxy-4-iodophenyl)ethynyl]phenyl] ester IUPAC Name: S-[4-[2-(2,5-didodecoxy-4-iodophenyl)ethynyl]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[4-[2-(4-iodo-2,5-dilauryloxy-phenyl)ethynyl]phenyl] ester Formula: C40H59IO3S MolecularWeight: 746.86413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)SC(=O)C)OCCCCCCCCCCCC)I

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1C#CC2=CC=C(C=C2)SC(=O)C)OCCCCCCCCCCCC)I

InChI

InChI=1S/C40H59IO3S/c1-4-6-8-10-12-14-16-18-20-22-30-43-39-33-38(41)40(44-31-23-21-19-17-15-13-11-9-7-5-2)32-36(39)27-24-35-25-28-37(29-26-35)45-34(3)42/h25-26,28-29,32-33H,4-23,30-31H2,1-3H3