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

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) 4-methylbenzenesulfonate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=CC=CC=C2OC1=O)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCC1=C(C2=CC=CC=C2OC1=O)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20O5S/c1-3-4-7-17-19(16-8-5-6-9-18(16)24-20(17)21)25-26(22,23)15-12-10-14(2)11-13-15/h5-6,8-13H,3-4,7H2,1-2H3