2-azanylbutanedioic acid; 2-[(4-methylphenyl)sulfonylamino]ethanoic acid

Systemtic Name: 2-azanylbutanedioic acid; 2-[(4-methylphenyl)sulfonylamino]ethanoic acid Openeye Name: 2-aminobutanedioic acid; 2-(p-tolylsulfonylamino)acetic acid CAS Name: 2-aminobutanedioic acid; 2-[(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-aminobutanedioic acid; 2-[(4-methylphenyl)sulfonylamino]acetic acid Traditional Name: 2-aminosuccinic acid; 2-(tosylamino)acetic acid Formula: C13H18N2O8S MolecularWeight: 362.35562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O.C(C(C(=O)O)N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(=O)O.C(C(C(=O)O)N)C(=O)O

InChI

InChI=1S/C9H11NO4S.C4H7NO4/c1-7-2-4-8(5-3-7)15(13,14)10-6-9(11)12;5-2(4(8)9)1-3(6)7/h2-5,10H,6H2,1H3,(H,11,12);2H,1,5H2,(H,6,7)(H,8,9)