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

Systemtic Name: methyl 6-butoxy-2-(4-butoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Openeye Name: methyl 6-butoxy-2-(4-butoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate CAS Name: 6-butoxy-2-(4-butoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 6-butoxy-2-(4-butoxyphenyl)-4-(trifluoromethylsulfonyloxy)-2H-chromene-3-carboxylate Traditional Name: 6-butoxy-2-(4-butoxyphenyl)-4-triflyloxy-2H-chromene-3-carboxylic acid methyl ester Formula: C26H29F3O8S MolecularWeight: 558.56387

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C3=C(O2)C=CC(=C3)OCCCC)OS(=O)(=O)C(F)(F)F)C(=O)OC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(C3=C(O2)C=CC(=C3)OCCCC)OS(=O)(=O)C(F)(F)F)C(=O)OC

InChI

InChI=1S/C26H29F3O8S/c1-4-6-14-34-18-10-8-17(9-11-18)23-22(25(30)33-3)24(37-38(31,32)26(27,28)29)20-16-19(35-15-7-5-2)12-13-21(20)36-23/h8-13,16,23H,4-7,14-15H2,1-3H3