2-azanyl-5-[(4-azanyl-2,5-dicarboxy-phenyl)methyl]terephthalic acid

Systemtic Name: 2-azanyl-5-[(4-azanyl-2,5-dicarboxy-phenyl)methyl]terephthalic acid Openeye Name: 2-amino-5-[(4-amino-2,5-dicarboxy-phenyl)methyl]terephthalic acid CAS Name: 2-amino-5-[(4-amino-2,5-dicarboxyphenyl)methyl]terephthalic acid IUPAC Name: 2-amino-5-[(4-amino-2,5-dicarboxyphenyl)methyl]terephthalic acid Traditional Name: 2-amino-5-(4-amino-2,5-dicarboxy-benzyl)terephthalic acid Formula: C17H14N2O8 MolecularWeight: 374.30166

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1CC2=C(C=C(C(=C2)C(=O)O)N)C(=O)O)C(=O)O)N)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1CC2=C(C=C(C(=C2)C(=O)O)N)C(=O)O)C(=O)O)N)C(=O)O

InChI

InChI=1S/C17H14N2O8/c18-12-4-8(14(20)21)6(2-10(12)16(24)25)1-7-3-11(17(26)27)13(19)5-9(7)15(22)23/h2-5H,1,18-19H2,(H,20,21)(H,22,23)(H,24,25)(H,26,27)