O-[7-bromanyl-6-butyl-1-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethoxy]-2,3-dihydroinden-4-yl] methanethioate

Systemtic Name: O-[7-bromanyl-6-butyl-1-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethoxy]-2,3-dihydroinden-4-yl] methanethioate Openeye Name: O-[7-bromo-6-butyl-1-oxo-2-(2,2,2-trifluoroethoxy)indan-4-yl] methanethioate CAS Name: methanethioic acid O-[7-bromo-6-butyl-1-oxo-2-(2,2,2-trifluoroethoxy)-2,3-dihydroinden-4-yl] ester IUPAC Name: O-[7-bromo-6-butyl-1-oxo-2-(2,2,2-trifluoroethoxy)-2,3-dihydroinden-4-yl] methanethioate Traditional Name: methanethioic acid O-[7-bromo-6-butyl-1-keto-2-(2,2,2-trifluoroethoxy)indan-4-yl] ester Formula: C16H16BrF3O3S MolecularWeight: 425.26065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C2CC(C(=O)C2=C1Br)OCC(F)(F)F)OC=S

Isomeric SMILES

CCCCC1=CC(=C2CC(C(=O)C2=C1Br)OCC(F)(F)F)OC=S

InChI

InChI=1S/C16H16BrF3O3S/c1-2-3-4-9-5-11(23-8-24)10-6-12(22-7-16(18,19)20)15(21)13(10)14(9)17/h5,8,12H,2-4,6-7H2,1H3