4,4-bis(ethylsulfanyl)-2-(phenylmethyl)-3-(trifluoromethyl)but-3-enoic acid

Systemtic Name: 4,4-bis(ethylsulfanyl)-2-(phenylmethyl)-3-(trifluoromethyl)but-3-enoic acid Openeye Name: 2-benzyl-4,4-bis(ethylsulfanyl)-3-(trifluoromethyl)but-3-enoic acid CAS Name: 4,4-bis(ethylthio)-2-(phenylmethyl)-3-(trifluoromethyl)-3-butenoic acid IUPAC Name: 2-benzyl-4,4-bis(ethylsulfanyl)-3-(trifluoromethyl)but-3-enoic acid Traditional Name: 2-benzyl-4,4-bis(ethylthio)-3-(trifluoromethyl)but-3-enoic acid Formula: C16H19F3O2S2 MolecularWeight: 364.44607

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C(CC1=CC=CC=C1)C(=O)O)C(F)(F)F)SCC

Isomeric SMILES

CCSC(=C(C(CC1=CC=CC=C1)C(=O)O)C(F)(F)F)SCC

InChI

InChI=1S/C16H19F3O2S2/c1-3-22-15(23-4-2)13(16(17,18)19)12(14(20)21)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3,(H,20,21)