sodium; 2-(carboxymethylamino)ethanoic acid; 2-(2,3,5-trimethyl-4-oxidanyl-phenyl)carbonylbenzenesulfonate

Systemtic Name: sodium; 2-(carboxymethylamino)ethanoic acid; 2-(2,3,5-trimethyl-4-oxidanyl-phenyl)carbonylbenzenesulfonate Openeye Name: sodium; 2-(carboxymethylamino)acetic acid; 2-(4-hydroxy-2,3,5-trimethyl-benzoyl)benzenesulfonate CAS Name: sodium; 2-(carboxymethylamino)acetic acid; 2-[(4-hydroxy-2,3,5-trimethylphenyl)-oxomethyl]benzenesulfonate IUPAC Name: sodium; 2-(carboxymethylamino)acetic acid; 2-(4-hydroxy-2,3,5-trimethylbenzoyl)benzenesulfonate Traditional Name: sodium; 2-(carboxymethylamino)acetic acid; 2-(4-hydroxy-2,3,5-trimethyl-benzoyl)besylate Formula: C20H22NNaO9S MolecularWeight: 475.44475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2S(=O)(=O)[O-])C)C)O.C(C(=O)O)NCC(=O)O.[Na+]

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)C2=CC=CC=C2S(=O)(=O)[O-])C)C)O.C(C(=O)O)NCC(=O)O.[Na+]

InChI

InChI=1S/C16H16O5S.C4H7NO4.Na/c1-9-8-13(10(2)11(3)15(9)17)16(18)12-6-4-5-7-14(12)22(19,20)21;6-3(7)1-5-2-4(8)9;/h4-8,17H,1-3H3,(H,19,20,21);5H,1-2H2,(H,6,7)(H,8,9);/q;;+1/p-1