5-fluoranyl-4-methyl-quinoline; 4-methylbenzenesulfonic acid

Systemtic Name: 5-fluoranyl-4-methyl-quinoline; 4-methylbenzenesulfonic acid Openeye Name: 5-fluoro-4-methyl-quinoline; 4-methylbenzenesulfonic acid CAS Name: 5-fluoro-4-methylquinoline; 4-methylbenzenesulfonic acid IUPAC Name: 5-fluoro-4-methylquinoline; 4-methylbenzenesulfonic acid Traditional Name: 5-fluoro-4-methyl-quinoline; tosylic acid Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C2C(=NC=C1)C=CC=C2F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C2C(=NC=C1)C=CC=C2F

InChI

InChI=1S/C10H8FN.C7H8O3S/c1-7-5-6-12-9-4-2-3-8(11)10(7)9;1-6-2-4-7(5-3-6)11(8,9)10/h2-6H,1H3;2-5H,1H3,(H,8,9,10)