(phenylmethyl) 4-methyl-2-prop-2-enyl-2-(trifluoromethyl)pent-4-enedithioate

Systemtic Name: (phenylmethyl) 4-methyl-2-prop-2-enyl-2-(trifluoromethyl)pent-4-enedithioate Openeye Name: benzyl 2-allyl-4-methyl-2-(trifluoromethyl)pent-4-enedithioate CAS Name: 4-methyl-2-prop-2-enyl-2-(trifluoromethyl)-4-pentenedithioic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methyl-2-prop-2-enyl-2-(trifluoromethyl)pent-4-enedithioate Traditional Name: 2-allyl-4-methyl-2-(trifluoromethyl)pent-4-enedithioic acid benzyl ester Formula: C17H19F3S2 MolecularWeight: 344.45797

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(CC=C)(C(=S)SCC1=CC=CC=C1)C(F)(F)F

Isomeric SMILES

CC(=C)CC(CC=C)(C(=S)SCC1=CC=CC=C1)C(F)(F)F

InChI

InChI=1S/C17H19F3S2/c1-4-10-16(11-13(2)3,17(18,19)20)15(21)22-12-14-8-6-5-7-9-14/h4-9H,1-2,10-12H2,3H3