[3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] methanesulfonate

Systemtic Name: [3-(4-tert-butylphenoxy)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] methanesulfonate Openeye Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-(4-tert-butylphenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(4-tert-butylphenoxy)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester Formula: C21H19F3O6S MolecularWeight: 456.43217

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3)OS(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C21H19F3O6S/c1-20(2,3)12-5-7-13(8-6-12)28-18-17(25)15-10-9-14(30-31(4,26)27)11-16(15)29-19(18)21(22,23)24/h5-11H,1-4H3