S-[6-[2,4-bis(fluoranyl)phenyl]hexyl] ethanethioate

Systemtic Name: S-[6-[2,4-bis(fluoranyl)phenyl]hexyl] ethanethioate Openeye Name: S-[6-(2,4-difluorophenyl)hexyl] ethanethioate CAS Name: ethanethioic acid S-[6-(2,4-difluorophenyl)hexyl] ester IUPAC Name: S-[6-(2,4-difluorophenyl)hexyl] ethanethioate Traditional Name: ethanethioic acid S-[6-(2,4-difluorophenyl)hexyl] ester Formula: C14H18F2OS MolecularWeight: 272.353926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCCCCCC1=C(C=C(C=C1)F)F

Isomeric SMILES

CC(=O)SCCCCCCC1=C(C=C(C=C1)F)F

InChI

InChI=1S/C14H18F2OS/c1-11(17)18-9-5-3-2-4-6-12-7-8-13(15)10-14(12)16/h7-8,10H,2-6,9H2,1H3