(2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-methylsulfonylbenzenesulfonate

Systemtic Name: (2-oxidanylidene-4-propan-2-yl-chromen-7-yl) 4-methylsulfonylbenzenesulfonate Openeye Name: (4-isopropyl-2-oxo-chromen-7-yl) 4-methylsulfonylbenzenesulfonate CAS Name: 4-methylsulfonylbenzenesulfonic acid (2-oxo-4-propan-2-yl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propan-2-ylchromen-7-yl) 4-methylsulfonylbenzenesulfonate Traditional Name: 4-mesylbenzenesulfonic acid (4-isopropyl-2-keto-chromen-7-yl) ester Formula: C19H18O7S2 MolecularWeight: 422.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H18O7S2/c1-12(2)17-11-19(20)25-18-10-13(4-9-16(17)18)26-28(23,24)15-7-5-14(6-8-15)27(3,21)22/h4-12H,1-3H3