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

Systemtic Name: methyl 4-[2-oxidanylidene-4-(trifluoromethyl)chromen-7-yl]oxysulfonylbenzoate Openeye Name: methyl 4-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxysulfonylbenzoate CAS Name: 4-[[2-oxo-4-(trifluoromethyl)-1-benzopyran-7-yl]oxysulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxysulfonylbenzoate Traditional Name: 4-[2-keto-4-(trifluoromethyl)chromen-7-yl]oxysulfonylbenzoic acid methyl ester Formula: C18H11F3O7S MolecularWeight: 428.33595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F3O7S/c1-26-17(23)10-2-5-12(6-3-10)29(24,25)28-11-4-7-13-14(18(19,20)21)9-16(22)27-15(13)8-11/h2-9H,1H3