2-[(2S)-2-azanyl-1-oxidanyl-3-phenyl-propyl]cycloprop-2-en-1-one; 4-methylbenzenesulfonic acid

Systemtic Name: 2-[(2S)-2-azanyl-1-oxidanyl-3-phenyl-propyl]cycloprop-2-en-1-one; 4-methylbenzenesulfonic acid Openeye Name: 2-[(2S)-2-amino-1-hydroxy-3-phenyl-propyl]cycloprop-2-en-1-one; 4-methylbenzenesulfonic acid CAS Name: 2-[(2S)-2-amino-1-hydroxy-3-phenylpropyl]-1-cycloprop-2-enone; 4-methylbenzenesulfonic acid IUPAC Name: 2-[(2S)-2-amino-1-hydroxy-3-phenylpropyl]cycloprop-2-en-1-one; 4-methylbenzenesulfonic acid Traditional Name: 2-[(2S)-2-amino-1-hydroxy-3-phenyl-propyl]cycloprop-2-en-1-one; tosylic acid Formula: C19H21NO5S MolecularWeight: 375.43874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CC(C(C2=CC2=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C[C@@H](C(C2=CC2=O)O)N

InChI

InChI=1S/C12H13NO2.C7H8O3S/c13-10(12(15)9-7-11(9)14)6-8-4-2-1-3-5-8;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7,10,12,15H,6,13H2;2-5H,1H3,(H,8,9,10)/t10-,12?;/m0./s1