2-azanylpropanedioate; 4-methylbenzenesulfonate

Systemtic Name: 2-azanylpropanedioate; 4-methylbenzenesulfonate Openeye Name: 2-aminopropanedioate; 4-methylbenzenesulfonate CAS Name: 2-aminopropanedioate; 4-methylbenzenesulfonate IUPAC Name: 2-aminopropanedioate; 4-methylbenzenesulfonate Traditional Name: 2-aminomalonate tosylate Formula: C10H10NO7S-3 MolecularWeight: 288.2539

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C3H5NO4/c1-6-2-4-7(5-3-6)11(8,9)10;4-1(2(5)6)3(7)8/h2-5H,1H3,(H,8,9,10);1H,4H2,(H,5,6)(H,7,8)/p-3