S-[2-(2-iodanylphenyl)ethyl] 2-(5-propan-2-ylidenecyclooctylidene)ethanethioate

Systemtic Name: S-[2-(2-iodanylphenyl)ethyl] 2-(5-propan-2-ylidenecyclooctylidene)ethanethioate Openeye Name: S-[2-(2-iodophenyl)ethyl] 2-(5-isopropylidenecyclooctylidene)ethanethioate CAS Name: 2-(5-propan-2-ylidenecyclooctylidene)ethanethioic acid S-[2-(2-iodophenyl)ethyl] ester IUPAC Name: S-[2-(2-iodophenyl)ethyl] 2-(5-propan-2-ylidenecyclooctylidene)ethanethioate Traditional Name: 2-(5-isopropylidenecyclooctylidene)ethanethioic acid S-[2-(2-iodophenyl)ethyl] ester Formula: C21H27IOS MolecularWeight: 454.40795

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCCC(=CC(=O)SCCC2=CC=CC=C2I)CCC1)C

Isomeric SMILES

CC(=C1CCCC(=CC(=O)SCCC2=CC=CC=C2I)CCC1)C

InChI

InChI=1S/C21H27IOS/c1-16(2)18-10-5-7-17(8-6-11-18)15-21(23)24-14-13-19-9-3-4-12-20(19)22/h3-4,9,12,15H,5-8,10-11,13-14H2,1-2H3