methyl 6-butoxy-2-(4-methoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate

Systemtic Name: methyl 6-butoxy-2-(4-methoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 6-butoxy-2-(4-methoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 6-butoxy-2-(4-methoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-butoxy-2-(4-methoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 6-butoxy-2-(4-methoxyphenyl)-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C23H23F3O8S MolecularWeight: 516.48413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H23F3O8S/c1-4-5-12-32-16-10-11-18-17(13-16)21(34-35(28,29)23(24,25)26)19(22(27)31-3)20(33-18)14-6-8-15(30-2)9-7-14/h6-11,13,20H,4-5,12H2,1-3H3