S-[2-(2-iodanylphenyl)ethyl] (2Z)-3-methylocta-2,7-dienethioate

Systemtic Name: S-[2-(2-iodanylphenyl)ethyl] (2Z)-3-methylocta-2,7-dienethioate Openeye Name: S-[2-(2-iodophenyl)ethyl] (2Z)-3-methylocta-2,7-dienethioate CAS Name: (2Z)-3-methylocta-2,7-dienethioic acid S-[2-(2-iodophenyl)ethyl] ester IUPAC Name: S-[2-(2-iodophenyl)ethyl] (2Z)-3-methylocta-2,7-dienethioate Traditional Name: (2Z)-3-methylocta-2,7-dienethioic acid S-[2-(2-iodophenyl)ethyl] ester Formula: C17H21IOS MolecularWeight: 400.31751

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)SCCC1=CC=CC=C1I)CCCC=C

Isomeric SMILES

C/C(=C/C(=O)SCCC1=CC=CC=C1I)/CCCC=C

InChI

InChI=1S/C17H21IOS/c1-3-4-5-8-14(2)13-17(19)20-12-11-15-9-6-7-10-16(15)18/h3,6-7,9-10,13H,1,4-5,8,11-12H2,2H3/b14-13-