(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfonylbenzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 4-methylsulfonylbenzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C18H13BrO6S MolecularWeight: 437.26122

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C18H13BrO6S/c1-26(22,23)14-5-2-11(3-6-14)18(21)24-10-12-8-17(20)25-16-9-13(19)4-7-15(12)16/h2-9H,10H2,1H3