[1-(trifluoromethyl)inden-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-(trifluoromethyl)inden-1-yl] 4-methylbenzenesulfonate Openeye Name: [1-(trifluoromethyl)inden-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(trifluoromethyl)-1-indenyl] ester IUPAC Name: [1-(trifluoromethyl)inden-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(trifluoromethyl)inden-1-yl] ester Formula: C17H13F3O3S MolecularWeight: 358.34305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(C=CC3=CC=CC=C32)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=[18O])(=[18O])OC2(C=CC3=CC=CC=C32)C(F)(F)F

InChI

InChI=1S/C17H13F3O3S/c1-12-6-8-14(9-7-12)24(21,22)23-16(17(18,19)20)11-10-13-4-2-3-5-15(13)16/h2-11H,1H3/i21+2,22+2