4-methylbenzenesulfonate; (phenylmethyl) 1-azanylcyclopropane-1-carboxylate

Systemtic Name: 4-methylbenzenesulfonate; (phenylmethyl) 1-azanylcyclopropane-1-carboxylate Openeye Name: benzyl 1-aminocyclopropanecarboxylate; 4-methylbenzenesulfonate CAS Name: 1-amino-1-cyclopropanecarboxylic acid (phenylmethyl) ester; 4-methylbenzenesulfonate IUPAC Name: benzyl 1-aminocyclopropane-1-carboxylate; 4-methylbenzenesulfonate Traditional Name: 1-aminocyclopropanecarboxylic acid benzyl ester tosylate Formula: C18H20NO5S- MolecularWeight: 362.4201

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC1(C(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CC1(C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C11H13NO2.C7H8O3S/c12-11(6-7-11)10(13)14-8-9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5H,6-8,12H2;2-5H,1H3,(H,8,9,10)/p-1