(1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-cyanobenzenesulfonate

Systemtic Name: (1,7-dimethyl-3-oxidanylidene-1,2-dihydroinden-4-yl) 4-cyanobenzenesulfonate Openeye Name: (1,7-dimethyl-3-oxo-indan-4-yl) 4-cyanobenzenesulfonate CAS Name: 4-cyanobenzenesulfonic 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-cyanobenzenesulfonate Traditional Name: 4-cyanobenzenesulfonic acid (3-keto-1,7-dimethyl-indan-4-yl) ester Formula: C18H15NO4S MolecularWeight: 341.381

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=C3)C#N

Isomeric SMILES

CC1CC(=O)C2=C(C=CC(=C12)C)OS(=O)(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H15NO4S/c1-11-3-8-16(18-15(20)9-12(2)17(11)18)23-24(21,22)14-6-4-13(10-19)5-7-14/h3-8,12H,9H2,1-2H3