4-azanyl-2-[3,5-bis(5-azanyl-2-carboxy-phenyl)-1,3,5-triazinan-1-yl]benzoic acid

Systemtic Name: 4-azanyl-2-[3,5-bis(5-azanyl-2-carboxy-phenyl)-1,3,5-triazinan-1-yl]benzoic acid Openeye Name: 4-amino-2-[3,5-bis(5-amino-2-carboxy-phenyl)-1,3,5-triazinan-1-yl]benzoic acid CAS Name: 4-amino-2-[3,5-bis(5-amino-2-carboxyphenyl)-1,3,5-triazinan-1-yl]benzoic acid IUPAC Name: 4-amino-2-[3,5-bis(5-amino-2-carboxyphenyl)-1,3,5-triazinan-1-yl]benzoic acid Traditional Name: 4-amino-2-[3,5-bis(5-amino-2-carboxy-phenyl)-1,3,5-triazinan-1-yl]benzoic acid Formula: C24H24N6O6 MolecularWeight: 492.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1N(CN(CN1C2=C(C=CC(=C2)N)C(=O)O)C3=C(C=CC(=C3)N)C(=O)O)C4=C(C=CC(=C4)N)C(=O)O

Isomeric SMILES

C1N(CN(CN1C2=C(C=CC(=C2)N)C(=O)O)C3=C(C=CC(=C3)N)C(=O)O)C4=C(C=CC(=C4)N)C(=O)O

InChI

InChI=1S/C24H24N6O6/c25-13-1-4-16(22(31)32)19(7-13)28-10-29(20-8-14(26)2-5-17(20)23(33)34)12-30(11-28)21-9-15(27)3-6-18(21)24(35)36/h1-9H,10-12,25-27H2,(H,31,32)(H,33,34)(H,35,36)