(7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (7-methyl-2-oxidanylidene-6-propan-2-yl-chromen-4-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (6-isopropyl-7-methyl-2-oxo-chromen-4-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (7-methyl-2-oxo-6-propan-2-yl-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (6-isopropyl-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H22O6S MolecularWeight: 414.47148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(C)C

InChI

InChI=1S/C22H22O6S/c1-13(2)18-11-19-16(10-21(23)28-20(19)9-14(18)3)12-27-22(24)15-5-7-17(8-6-15)29(4,25)26/h5-11,13H,12H2,1-4H3