(2-oxidanylidene-4-propyl-chromen-7-yl) 2-chloranyl-5-methylsulfonyl-benzenesulfonate

Systemtic Name: (2-oxidanylidene-4-propyl-chromen-7-yl) 2-chloranyl-5-methylsulfonyl-benzenesulfonate Openeye Name: (2-oxo-4-propyl-chromen-7-yl) 2-chloro-5-methylsulfonyl-benzenesulfonate CAS Name: 2-chloro-5-methylsulfonylbenzenesulfonic acid (2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (2-oxo-4-propylchromen-7-yl) 2-chloro-5-methylsulfonylbenzenesulfonate Traditional Name: 2-chloro-5-mesyl-benzenesulfonic acid (2-keto-4-propyl-chromen-7-yl) ester Formula: C19H17ClO7S2 MolecularWeight: 456.91708

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=C(C=CC(=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C19H17ClO7S2/c1-3-4-12-9-19(21)26-17-10-13(5-7-15(12)17)27-29(24,25)18-11-14(28(2,22)23)6-8-16(18)20/h5-11H,3-4H2,1-2H3