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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3S(=O)(=O)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC=CC=C3S(=O)(=O)C)O

InChI

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