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

Systemtic Name: [3-(trifluoromethyl)-1H-inden-1-yl] 4-methylbenzenesulfonate Openeye Name: [3-(trifluoromethyl)-1H-inden-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(trifluoromethyl)-1H-inden-1-yl] ester IUPAC Name: [3-(trifluoromethyl)-1H-inden-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(trifluoromethyl)-1H-inden-1-yl] ester Formula: C17H13F3O3S MolecularWeight: 354.34353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2C=C(C3=CC=CC=C23)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2C=C(C3=CC=CC=C23)C(F)(F)F

InChI

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