disodium 2-[3-[[3-(6-carboxylato-1H-benzimidazol-2-yl)phenyl]carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate

Systemtic Name: disodium 2-[3-[[3-(6-carboxylato-1H-benzimidazol-2-yl)phenyl]carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate Openeye Name: disodium 2-[3-[[3-(6-carboxylato-1H-benzimidazol-2-yl)phenyl]carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate CAS Name: disodium 2-[3-[[[3-(6-carboxylato-1H-benzimidazol-2-yl)anilino]-oxomethyl]amino]phenyl]-3H-benzimidazole-5-carboxylate IUPAC Name: disodium 2-[3-[[3-(6-carboxylato-1H-benzimidazol-2-yl)phenyl]carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate Traditional Name: disodium 2-[3-[[3-(6-carboxylato-1H-benzimidazol-2-yl)phenyl]carbamoylamino]phenyl]-3H-benzimidazole-5-carboxylate Formula: C29H18N6Na2O5 MolecularWeight: 576.46996

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)[O-])C5=NC6=C(N5)C=C(C=C6)C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C3=NC4=C(N3)C=C(C=C4)C(=O)[O-])C5=NC6=C(N5)C=C(C=C6)C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C29H20N6O5.2Na/c36-27(37)17-7-9-21-23(13-17)34-25(32-21)15-3-1-5-19(11-15)30-29(40)31-20-6-2-4-16(12-20)26-33-22-10-8-18(28(38)39)14-24(22)35-26;;/h1-14H,(H,32,34)(H,33,35)(H,36,37)(H,38,39)(H2,30,31,40);;/q;2*+1/p-2