[6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-pyran-4-yl] 4-fluoranylbenzoate

Systemtic Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxidanylidene-pyran-4-yl] 4-fluoranylbenzoate Openeye Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxo-pyran-4-yl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [6-methyl-3-[(4-nitrophenyl)thio]-2-oxo-4-pyranyl] ester IUPAC Name: [6-methyl-3-(4-nitrophenyl)sulfanyl-2-oxopyran-4-yl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [2-keto-6-methyl-3-[(4-nitrophenyl)thio]pyran-4-yl] ester Formula: C19H12FNO6S MolecularWeight: 401.365083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)O1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C(=O)O1)SC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H12FNO6S/c1-11-10-16(27-18(22)12-2-4-13(20)5-3-12)17(19(23)26-11)28-15-8-6-14(7-9-15)21(24)25/h2-10H,1H3