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

Systemtic Name: (3-methyl-2-oxidanylidene-chromen-7-yl) 4-bromanylbenzenesulfonate Openeye Name: (3-methyl-2-oxo-chromen-7-yl) 4-bromobenzenesulfonate CAS Name: 4-bromobenzenesulfonic acid (3-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (3-methyl-2-oxochromen-7-yl) 4-bromobenzenesulfonate Traditional Name: 4-bromobenzenesulfonic acid (2-keto-3-methyl-chromen-7-yl) ester Formula: C16H11BrO5S MolecularWeight: 395.22454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)OC1=O

Isomeric SMILES

CC1=CC2=C(C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Br)OC1=O

InChI

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