(8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate

Systemtic Name: (8-methyl-2-oxidanylidene-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate Openeye Name: (8-methyl-2-oxo-4-propyl-chromen-7-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (8-methyl-2-oxo-4-propyl-1-benzopyran-7-yl) ester IUPAC Name: (8-methyl-2-oxo-4-propylchromen-7-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-keto-8-methyl-4-propyl-chromen-7-yl) ester Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H20O5S/c1-4-5-15-12-19(21)24-20-14(3)18(11-10-17(15)20)25-26(22,23)16-8-6-13(2)7-9-16/h6-12H,4-5H2,1-3H3