2-azanylpentanedioate; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanylpentanedioate; 4-methylbenzenesulfonic acid Openeye Name: 2-aminopentanedioate; 4-methylbenzenesulfonic acid CAS Name: 2-aminopentanedioate; 4-methylbenzenesulfonic acid IUPAC Name: 2-aminopentanedioate; 4-methylbenzenesulfonic acid Traditional Name: 2-aminoglutarate; tosylic acid Formula: C12H15NO7S-2 MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C5H9NO4/c1-6-2-4-7(5-3-6)11(8,9)10;6-3(5(9)10)1-2-4(7)8/h2-5H,1H3,(H,8,9,10);3H,1-2,6H2,(H,7,8)(H,9,10)/p-2