2-[carboxymethyl-(2-oxidanyl-4-sulfo-naphthalen-1-yl)amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-(2-oxidanyl-4-sulfo-naphthalen-1-yl)amino]ethanoic acid Openeye Name: 2-[carboxymethyl-(2-hydroxy-4-sulfo-1-naphthyl)amino]acetic acid CAS Name: 2-[carboxymethyl-(2-hydroxy-4-sulfo-1-naphthalenyl)amino]acetic acid IUPAC Name: 2-[carboxymethyl-(2-hydroxy-4-sulfonaphthalen-1-yl)amino]acetic acid Traditional Name: 2-[carboxymethyl-(2-hydroxy-4-sulfo-1-naphthyl)amino]acetic acid Formula: C14H13NO8S MolecularWeight: 355.31992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=C2N(CC(=O)O)CC(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=C2N(CC(=O)O)CC(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C14H13NO8S/c16-10-5-11(24(21,22)23)8-3-1-2-4-9(8)14(10)15(6-12(17)18)7-13(19)20/h1-5,16H,6-7H2,(H,17,18)(H,19,20)(H,21,22,23)