(4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) benzenesulfonate

Systemtic Name: (4-butyl-8-methyl-2-oxidanylidene-chromen-7-yl) benzenesulfonate Openeye Name: (4-butyl-8-methyl-2-oxo-chromen-7-yl) benzenesulfonate CAS Name: benzenesulfonic acid (4-butyl-8-methyl-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-8-methyl-2-oxochromen-7-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-butyl-2-keto-8-methyl-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(=C2C)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C)OS(=O)(=O)C3=CC=CC=C3

InChI

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