(4,7-dimethyl-2-oxidanylidene-chromen-6-yl) 3,5-bis(chloranyl)-4-methyl-benzenesulfonate

Systemtic Name: (4,7-dimethyl-2-oxidanylidene-chromen-6-yl) 3,5-bis(chloranyl)-4-methyl-benzenesulfonate Openeye Name: (4,7-dimethyl-2-oxo-chromen-6-yl) 3,5-dichloro-4-methyl-benzenesulfonate CAS Name: 3,5-dichloro-4-methylbenzenesulfonic acid (4,7-dimethyl-2-oxo-1-benzopyran-6-yl) ester IUPAC Name: (4,7-dimethyl-2-oxochromen-6-yl) 3,5-dichloro-4-methylbenzenesulfonate Traditional Name: 3,5-dichloro-4-methyl-benzenesulfonic acid (2-keto-4,7-dimethyl-chromen-6-yl) ester Formula: C18H14Cl2O5S MolecularWeight: 413.27176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=CC(=C(C=C12)OS(=O)(=O)C3=CC(=C(C(=C3)Cl)C)Cl)C

Isomeric SMILES

CC1=CC(=O)OC2=CC(=C(C=C12)OS(=O)(=O)C3=CC(=C(C(=C3)Cl)C)Cl)C

InChI

InChI=1S/C18H14Cl2O5S/c1-9-5-18(21)24-17-4-10(2)16(8-13(9)17)25-26(22,23)12-6-14(19)11(3)15(20)7-12/h4-8H,1-3H3