(4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) benzenesulfonate

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) benzenesulfonate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) benzenesulfonate CAS Name: benzenesulfonic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) benzenesulfonate Traditional Name: benzenesulfonic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C19H17ClO5S MolecularWeight: 392.85328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC(=O)OC2=CC(=C(C=C12)Cl)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17ClO5S/c1-2-3-7-13-10-19(21)24-17-12-18(16(20)11-15(13)17)25-26(22,23)14-8-5-4-6-9-14/h4-6,8-12H,2-3,7H2,1H3