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

Systemtic Name: (3-butyl-2-oxidanylidene-chromen-4-yl) benzenesulfonate Openeye Name: (3-butyl-2-oxo-chromen-4-yl) benzenesulfonate CAS Name: benzenesulfonic acid (3-butyl-2-oxo-1-benzopyran-4-yl) ester IUPAC Name: (3-butyl-2-oxochromen-4-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (3-butyl-2-keto-chromen-4-yl) ester Formula: C19H18O5S MolecularWeight: 358.40822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O5S/c1-2-3-11-16-18(15-12-7-8-13-17(15)23-19(16)20)24-25(21,22)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3