(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C19H15BrO6S MolecularWeight: 451.2878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)Br

InChI

InChI=1S/C19H15BrO6S/c1-11-3-5-14(27(2,23)24)9-16(11)19(22)25-10-12-7-18(21)26-17-8-13(20)4-6-15(12)17/h3-9H,10H2,1-2H3