[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-chloranyl-2-methyl-benzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-chloranyl-2-methyl-benzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-chloro-2-methyl-benzenesulfonate CAS Name: 4-chloro-2-methylbenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-chloro-2-methylbenzenesulfonate Traditional Name: 4-chloro-2-methyl-benzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C17H10ClF3O5S MolecularWeight: 418.77151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C17H10ClF3O5S/c1-9-6-10(18)2-5-15(9)27(23,24)26-11-3-4-12-13(17(19,20)21)8-16(22)25-14(12)7-11/h2-8H,1H3