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

Systemtic Name: (4-butyl-6-chloranyl-2-oxidanylidene-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (4-butyl-6-chloro-2-oxo-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-butyl-6-chloro-2-oxo-1-benzopyran-7-yl) ester IUPAC Name: (4-butyl-6-chloro-2-oxochromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-butyl-6-chloro-2-keto-chromen-7-yl) ester Formula: C20H19ClO5S MolecularWeight: 406.87986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClO5S/c1-3-4-5-14-10-20(22)25-18-12-19(17(21)11-16(14)18)26-27(23,24)15-8-6-13(2)7-9-15/h6-12H,3-5H2,1-2H3