[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 8-methylquinoline-5-sulfonate

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 8-methylquinoline-5-sulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 8-methylquinoline-5-sulfonate CAS Name: 8-methyl-5-quinolinesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 8-methylquinoline-5-sulfonate Traditional Name: 8-methylquinoline-5-sulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C20H12F3NO5S MolecularWeight: 435.37319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)S(=O)(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F)C=CC=N2

Isomeric SMILES

CC1=C2C(=C(C=C1)S(=O)(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C(F)(F)F)C=CC=N2

InChI

InChI=1S/C20H12F3NO5S/c1-11-4-7-17(14-3-2-8-24-19(11)14)30(26,27)29-12-5-6-13-15(20(21,22)23)10-18(25)28-16(13)9-12/h2-10H,1H3