2-[carboxymethyl-(8-oxidanyl-4,6-disulfo-naphthalen-1-yl)amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(8-oxidanyl-4,6-disulfo-naphthalen-1-yl)amino]ethanoic acid Openeye Name: 2-[carboxymethyl-(8-hydroxy-4,6-disulfo-1-naphthyl)amino]acetic acid CAS Name: 2-[carboxymethyl-(8-hydroxy-4,6-disulfo-1-naphthalenyl)amino]acetic acid IUPAC Name: 2-[carboxymethyl-(8-hydroxy-4,6-disulfonaphthalen-1-yl)amino]acetic acid Traditional Name: 2-[carboxymethyl-(8-hydroxy-4,6-disulfo-1-naphthyl)amino]acetic acid Formula: C14H13NO11S2 MolecularWeight: 435.38312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1N(CC(=O)O)CC(=O)O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1N(CC(=O)O)CC(=O)O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C14H13NO11S2/c16-10-4-7(27(21,22)23)3-8-11(28(24,25)26)2-1-9(14(8)10)15(5-12(17)18)6-13(19)20/h1-4,16H,5-6H2,(H,17,18)(H,19,20)(H,21,22,23)(H,24,25,26)