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

Systemtic Name: 1-butyl-3,3-dipropyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid Openeye Name: 1-butyl-3,3-dipropyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid CAS Name: 1-butyl-3,3-dipropyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid IUPAC Name: 1-butyl-3,3-dipropyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; 4-methylbenzenesulfonic acid Traditional Name: 1-butyl-3,3-dipropyl-1,4-dihydrofuro[3,4-b]quinolin-9-one; tosylic acid Formula: C28H37NO5S MolecularWeight: 499.66208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(C(O1)(CCC)CCC)NC3=CC=CC=C3C2=O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC1C2=C(C(O1)(CCC)CCC)NC3=CC=CC=C3C2=O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H29NO2.C7H8O3S/c1-4-7-12-17-18-19(23)15-10-8-9-11-16(15)22-20(18)21(24-17,13-5-2)14-6-3;1-6-2-4-7(5-3-6)11(8,9)10/h8-11,17H,4-7,12-14H2,1-3H3,(H,22,23);2-5H,1H3,(H,8,9,10)