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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C18H13F3O5S/c1-2-11-3-6-13(7-4-11)27(23,24)26-12-5-8-14-15(18(19,20)21)10-17(22)25-16(14)9-12/h3-10H,2H2,1H3