(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-methyl-3-methylsulfonyl-benzoate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-methyl-3-methylsulfonyl-benzoate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 4-methyl-3-methylsulfonyl-benzoate CAS Name: 4-methyl-3-methylsulfonylbenzoic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 4-methyl-3-methylsulfonylbenzoate Traditional Name: 3-mesyl-4-methyl-benzoic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C21H20O6S MolecularWeight: 400.4449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(C)C)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H20O6S/c1-12(2)17-11-20(22)27-18-10-15(7-8-16(17)18)26-21(23)14-6-5-13(3)19(9-14)28(4,24)25/h5-12H,1-4H3