3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid

Systemtic Name: 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid Openeye Name: 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid CAS Name: 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid IUPAC Name: 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid Traditional Name: 3,3-dimethyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; tosylic acid Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2=C(CO1)C(=O)C3=CC=CC=C3N2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1(C2=C(CO1)C(=O)C3=CC=CC=C3N2)C

InChI

InChI=1S/C13H13NO2.C7H8O3S/c1-13(2)12-9(7-16-13)11(15)8-5-3-4-6-10(8)14-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,7H2,1-2H3,(H,14,15);2-5H,1H3,(H,8,9,10)