(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C20H18O6S MolecularWeight: 386.41832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C)C

InChI

InChI=1S/C20H18O6S/c1-12-7-8-17-15(10-18(21)26-19(17)13(12)2)11-25-20(22)14-5-4-6-16(9-14)27(3,23)24/h4-10H,11H2,1-3H3