4-azanyl-2-[4-(4-fluorophenyl)phenyl]butan-2-ol; 4-methylbenzenesulfonic acid

Systemtic Name: 4-azanyl-2-[4-(4-fluorophenyl)phenyl]butan-2-ol; 4-methylbenzenesulfonic acid Openeye Name: 4-amino-2-[4-(4-fluorophenyl)phenyl]butan-2-ol; 4-methylbenzenesulfonic acid CAS Name: 4-amino-2-[4-(4-fluorophenyl)phenyl]-2-butanol; 4-methylbenzenesulfonic acid IUPAC Name: 4-amino-2-[4-(4-fluorophenyl)phenyl]butan-2-ol; 4-methylbenzenesulfonic acid Traditional Name: 4-amino-2-[4-(4-fluorophenyl)phenyl]butan-2-ol; tosylic acid Formula: C23H26FNO4S MolecularWeight: 431.520243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CCN)(C1=CC=C(C=C1)C2=CC=C(C=C2)F)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(CCN)(C1=CC=C(C=C1)C2=CC=C(C=C2)F)O

InChI

InChI=1S/C16H18FNO.C7H8O3S/c1-16(19,10-11-18)14-6-2-12(3-7-14)13-4-8-15(17)9-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-9,19H,10-11,18H2,1H3;2-5H,1H3,(H,8,9,10)