(4-methyl-2-oxidanylidene-chromen-7-yl) 4-bromanylbenzenesulfonate

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-bromanylbenzenesulfonate Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2-keto-4-methyl-chromen-7-yl) ester Formula: C16H11BrO5S MolecularWeight: 395.22454

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrO5S/c1-10-8-16(18)21-15-9-12(4-7-14(10)15)22-23(19,20)13-5-2-11(17)3-6-13/h2-9H,1H3