2-[carboxymethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[carboxymethyl-(2,4,6-trimethylphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[carboxymethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[carboxymethyl-(2,4,6-trimethylphenyl)sulfonylamino]acetic acid Traditional Name: 2-[carboxymethyl(mesitylsulfonyl)amino]acetic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO6S/c1-8-4-9(2)13(10(3)5-8)21(19,20)14(6-11(15)16)7-12(17)18/h4-5H,6-7H2,1-3H3,(H,15,16)(H,17,18)