2-azanylethanoic acid; bicyclo[4.1.0]hepta-1,3,5-triene; 4-methylbenzenesulfonate

Systemtic Name: 2-azanylethanoic acid; bicyclo[4.1.0]hepta-1,3,5-triene; 4-methylbenzenesulfonate Openeye Name: 2-aminoacetic acid; bicyclo[4.1.0]hepta-1,3,5-triene; 4-methylbenzenesulfonate CAS Name: 2-aminoacetic acid; bicyclo[4.1.0]hepta-1,3,5-triene; 4-methylbenzenesulfonate IUPAC Name: 2-aminoacetic acid; bicyclo[4.1.0]hepta-1,3,5-triene; 4-methylbenzenesulfonate Traditional Name: 2-aminoacetic acid; bicyclo[4.1.0]hepta-1,3,5-triene; tosylate Formula: C16H18NO5S- MolecularWeight: 336.38282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C2=CC=CC=C21.C(C(=O)O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1C2=CC=CC=C21.C(C(=O)O)N

InChI

InChI=1S/C7H8O3S.C7H6.C2H5NO2/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-4-7-5-6(7)3-1;3-1-2(4)5/h2-5H,1H3,(H,8,9,10);1-4H,5H2;1,3H2,(H,4,5)/p-1