(6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-chloranyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (6-chloro-2-oxo-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-chloro-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (6-chloro-2-oxo-4-propylchromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (6-chloro-2-keto-4-propyl-chromen-7-yl) ester Formula: C19H17ClO5S MolecularWeight: 392.85328

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C19H17ClO5S/c1-3-4-13-9-19(21)24-17-11-18(16(20)10-15(13)17)25-26(22,23)14-7-5-12(2)6-8-14/h5-11H,3-4H2,1-2H3