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

Systemtic Name: 2-[carboxymethyl-[2-[carboxymethyl-(2-oxidanyl-4-sulfo-naphthalen-1-yl)amino]ethyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[carboxymethyl-(2-hydroxy-4-sulfo-1-naphthyl)amino]ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-[carboxymethyl-(2-hydroxy-4-sulfo-1-naphthalenyl)amino]ethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[carboxymethyl-(2-hydroxy-4-sulfonaphthalen-1-yl)amino]ethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-[carboxymethyl-(2-hydroxy-4-sulfo-1-naphthyl)amino]ethyl]amino]acetic acid Formula: C18H20N2O10S MolecularWeight: 456.4238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O10S/c21-13-7-14(31(28,29)30)11-3-1-2-4-12(11)18(13)20(10-17(26)27)6-5-19(8-15(22)23)9-16(24)25/h1-4,7,21H,5-6,8-10H2,(H,22,23)(H,24,25)(H,26,27)(H,28,29,30)