(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methylsulfonylbenzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-methylsulfonylbenzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H18O7S MolecularWeight: 402.41772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C)O

InChI

InChI=1S/C20H18O7S/c1-3-12-8-16-14(9-19(22)27-18(16)10-17(12)21)11-26-20(23)13-5-4-6-15(7-13)28(2,24)25/h4-10,21H,3,11H2,1-2H3