2-[carboxymethyl-[2-[carboxymethyl-(4-sulfonaphthalen-1-yl)amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[2-[carboxymethyl-(4-sulfonaphthalen-1-yl)amino]ethyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[2-[carboxymethyl-(4-sulfo-1-naphthyl)amino]ethyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[2-[carboxymethyl-(4-sulfo-1-naphthalenyl)amino]ethyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[2-[carboxymethyl-(4-sulfonaphthalen-1-yl)amino]ethyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[2-[carboxymethyl-(4-sulfo-1-naphthyl)amino]ethyl]amino]acetic acid Formula: C18H20N2O9S MolecularWeight: 440.4244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C18H20N2O9S/c21-16(22)9-19(10-17(23)24)7-8-20(11-18(25)26)14-5-6-15(30(27,28)29)13-4-2-1-3-12(13)14/h1-6H,7-11H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28,29)