2-[carboxymethyl-[(2-oxidanyl-3,6-disulfo-naphthalen-1-yl)methyl]amino]ethanoic acid

Systemtic Name: 2-[carboxymethyl-[(2-oxidanyl-3,6-disulfo-naphthalen-1-yl)methyl]amino]ethanoic acid Openeye Name: 2-[carboxymethyl-[(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]amino]acetic acid CAS Name: 2-[carboxymethyl-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)methyl]amino]acetic acid IUPAC Name: 2-[carboxymethyl-[(2-hydroxy-3,6-disulfonaphthalen-1-yl)methyl]amino]acetic acid Traditional Name: 2-[carboxymethyl-[(2-hydroxy-3,6-disulfo-1-naphthyl)methyl]amino]acetic acid Formula: C15H15NO11S2 MolecularWeight: 449.4097

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=CC2=C(C(=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C15H15NO11S2/c17-13(18)6-16(7-14(19)20)5-11-10-2-1-9(28(22,23)24)3-8(10)4-12(15(11)21)29(25,26)27/h1-4,21H,5-7H2,(H,17,18)(H,19,20)(H,22,23,24)(H,25,26,27)