2-[bis[(2-oxidanyl-5-sulfo-phenyl)methyl]amino]ethanoic acid

Systemtic Name: 2-[bis[(2-oxidanyl-5-sulfo-phenyl)methyl]amino]ethanoic acid Openeye Name: 2-[bis[(2-hydroxy-5-sulfo-phenyl)methyl]amino]acetic acid CAS Name: 2-[bis[(2-hydroxy-5-sulfophenyl)methyl]amino]acetic acid IUPAC Name: 2-[bis[(2-hydroxy-5-sulfophenyl)methyl]amino]acetic acid Traditional Name: 2-[bis(2-hydroxy-5-sulfo-benzyl)amino]acetic acid Formula: C16H17NO10S2 MolecularWeight: 447.43688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)CN(CC2=C(C=CC(=C2)S(=O)(=O)O)O)CC(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)CN(CC2=C(C=CC(=C2)S(=O)(=O)O)O)CC(=O)O)O

InChI

InChI=1S/C16H17NO10S2/c18-14-3-1-12(28(22,23)24)5-10(14)7-17(9-16(20)21)8-11-6-13(29(25,26)27)2-4-15(11)19/h1-6,18-19H,7-9H2,(H,20,21)(H,22,23,24)(H,25,26,27)