(4-methyl-2-oxidanylidene-chromen-7-yl) 4-bromanyl-3-methyl-benzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-bromanyl-3-methyl-benzenesulfonate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-bromo-3-methyl-benzenesulfonate CAS Name: 4-bromo-3-methylbenzenesulfonic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-bromo-3-methylbenzenesulfonate Traditional Name: 4-bromo-3-methyl-benzenesulfonic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C17H13BrO5S MolecularWeight: 409.25112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC(=C(C=C3)Br)C

InChI

InChI=1S/C17H13BrO5S/c1-10-8-17(19)22-16-9-12(3-5-14(10)16)23-24(20,21)13-4-6-15(18)11(2)7-13/h3-9H,1-2H3