(4-butyl-2-oxidanylidene-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (4-butyl-2-oxidanylidene-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (4-butyl-2-oxo-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-butyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-2-oxochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-butyl-2-keto-chromen-7-yl) ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20O5S/c1-3-4-5-15-12-20(21)24-19-13-16(8-11-18(15)19)25-26(22,23)17-9-6-14(2)7-10-17/h6-13H,3-5H2,1-2H3