7,8-bis(fluoranyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine; 4-methylbenzenesulfonic acid

Systemtic Name: 7,8-bis(fluoranyl)-3-methyl-3,4-dihydro-2H-1,4-benzoxazine; 4-methylbenzenesulfonic acid Openeye Name: 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine; 4-methylbenzenesulfonic acid CAS Name: 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine; 4-methylbenzenesulfonic acid IUPAC Name: 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine; 4-methylbenzenesulfonic acid Traditional Name: 7,8-difluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine; tosylic acid Formula: C16H17F2NO4S MolecularWeight: 357.372286

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Descriptors Computed from Structure

Canonical SMILES:

CC1COC2=C(N1)C=CC(=C2F)F.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CC1COC2=C(N1)C=CC(=C2F)F.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C9H9F2NO.C7H8O3S/c1-5-4-13-9-7(12-5)3-2-6(10)8(9)11;1-6-2-4-7(5-3-6)11(8,9)10/h2-3,5,12H,4H2,1H3;2-5H,1H3,(H,8,9,10)