3-[[bis(carboxymethyl)amino]methyl]-2-oxidanyl-5-sulfo-benzoic acid

Systemtic Name: 3-[[bis(carboxymethyl)amino]methyl]-2-oxidanyl-5-sulfo-benzoic acid Openeye Name: 3-[[bis(carboxymethyl)amino]methyl]-2-hydroxy-5-sulfo-benzoic acid CAS Name: 3-[[bis(carboxymethyl)amino]methyl]-2-hydroxy-5-sulfobenzoic acid IUPAC Name: 3-[[bis(carboxymethyl)amino]methyl]-2-hydroxy-5-sulfobenzoic acid Traditional Name: 3-[[bis(carboxymethyl)amino]methyl]-2-hydroxy-5-sulfo-benzoic acid Formula: C12H13NO10S MolecularWeight: 363.29732

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H13NO10S/c14-9(15)4-13(5-10(16)17)3-6-1-7(24(21,22)23)2-8(11(6)18)12(19)20/h1-2,18H,3-5H2,(H,14,15)(H,16,17)(H,19,20)(H,21,22,23)