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

Systemtic Name: [2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl] 4-(acetamidomethyl)benzenesulfonate Openeye Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-(acetamidomethyl)benzenesulfonate CAS Name: 4-(acetamidomethyl)benzenesulfonic acid [2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [2-oxo-4-(trifluoromethyl)chromen-7-yl] 4-(acetamidomethyl)benzenesulfonate Traditional Name: 4-(acetamidomethyl)benzenesulfonic acid [2-keto-4-(trifluoromethyl)chromen-7-yl] ester Formula: C19H14F3NO6S MolecularWeight: 441.37777

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(F)(F)F

InChI

InChI=1S/C19H14F3NO6S/c1-11(24)23-10-12-2-5-14(6-3-12)30(26,27)29-13-4-7-15-16(19(20,21)22)9-18(25)28-17(15)8-13/h2-9H,10H2,1H3,(H,23,24)