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

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C18H13ClO7S MolecularWeight: 408.80962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13ClO7S/c1-27(23,24)12-3-5-15(19)14(8-12)18(22)25-9-10-6-17(21)26-16-7-11(20)2-4-13(10)16/h2-8,20H,9H2,1H3