(5-oxidanyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-oxidanyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (5-hydroxy-2-oxo-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-hydroxy-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (5-hydroxy-2-oxo-4-propylchromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-hydroxy-2-keto-4-propyl-chromen-7-yl) ester Formula: C19H18O6S MolecularWeight: 374.40762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O6S/c1-3-4-13-9-18(21)24-17-11-14(10-16(20)19(13)17)25-26(22,23)15-7-5-12(2)6-8-15/h5-11,20H,3-4H2,1-2H3