[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzenesulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzenesulfonate CAS Name: 3,4-dimethylbenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 3,4-dimethylbenzenesulfonate Traditional Name: 3,4-dimethylbenzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C18H13F3O5S MolecularWeight: 398.35303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13F3O5S/c1-10-3-5-13(7-11(10)2)27(23,24)26-12-4-6-14-15(18(19,20)21)9-17(22)25-16(14)8-12/h3-9H,1-2H3