(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4,5-dimethoxy-2-methyl-benzenesulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4,5-dimethoxy-2-methyl-benzenesulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 4,5-dimethoxy-2-methyl-benzenesulfonate CAS Name: 4,5-dimethoxy-2-methylbenzenesulfonic acid (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) ester IUPAC Name: (1,7-dimethyl-3-oxo-1,2-dihydroinden-4-yl) 4,5-dimethoxy-2-methylbenzenesulfonate Traditional Name: 4,5-dimethoxy-2-methyl-benzenesulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C20H22O6S MolecularWeight: 390.45008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C20H22O6S/c1-11-6-7-15(20-14(21)8-13(3)19(11)20)26-27(22,23)18-10-17(25-5)16(24-4)9-12(18)2/h6-7,9-10,13H,8H2,1-5H3