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

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 2,4-dimethylbenzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2,4-dimethylbenzenesulfonate CAS Name: 2,4-dimethylbenzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 2,4-dimethylbenzenesulfonate Traditional Name: 2,4-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=CC(=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F)C

Isomeric SMILES

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

InChI

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