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

Systemtic Name: methyl 6-butoxy-2-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 6-butoxy-2-[4-(cyclopentoxy)phenyl]-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 6-butoxy-2-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-butoxy-2-(4-cyclopentyloxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 6-butoxy-2-[4-(cyclopentoxy)phenyl]-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C27H29F3O8S MolecularWeight: 570.57457

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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)OC4CCCC4

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(C(=C2OS(=O)(=O)C(F)(F)F)C(=O)OC)C3=CC=C(C=C3)OC4CCCC4

InChI

InChI=1S/C27H29F3O8S/c1-3-4-15-35-20-13-14-22-21(16-20)25(38-39(32,33)27(28,29)30)23(26(31)34-2)24(37-22)17-9-11-19(12-10-17)36-18-7-5-6-8-18/h9-14,16,18,24H,3-8,15H2,1-2H3