2,3-bis(oxidanyl)terephthalate; pyridin-1-ium-1,2,3,4-tetramine

Systemtic Name: 2,3-bis(oxidanyl)terephthalate; pyridin-1-ium-1,2,3,4-tetramine Openeye Name: 2,3-dihydroxyterephthalate; pyridin-1-ium-1,2,3,4-tetramine CAS Name: 2,3-dihydroxyterephthalate; pyridin-1-ium-1,2,3,4-tetramine IUPAC Name: 2,3-dihydroxyterephthalate; pyridin-1-ium-1,2,3,4-tetramine Traditional Name: 2,3-dihydroxyterephthalate; (1,2,3-triaminopyridin-1-ium-4-yl)amine Formula: C18H24N10O6 MolecularWeight: 476.44656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C(=O)[O-])O)O)C(=O)[O-].C1=C[N+](=C(C(=C1N)N)N)N.C1=C[N+](=C(C(=C1N)N)N)N

Isomeric SMILES

C1=CC(=C(C(=C1C(=O)[O-])O)O)C(=O)[O-].C1=C[N+](=C(C(=C1N)N)N)N.C1=C[N+](=C(C(=C1N)N)N)N

InChI

InChI=1S/C8H6O6.2C5H9N5/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;2*6-3-1-2-10(9)5(8)4(3)7/h1-2,9-10H,(H,11,12)(H,13,14);2*1-2H,7,9H2,(H3,6,8)