6-(4,6-dinitro-2,3-diphenyl-benzimidazol-5-yl)oxyhexanoic acid

Systemtic Name: 6-(4,6-dinitro-2,3-diphenyl-benzimidazol-5-yl)oxyhexanoic acid Openeye Name: 6-(4,6-dinitro-2,3-diphenyl-benzimidazol-5-yl)oxyhexanoic acid CAS Name: 6-[(4,6-dinitro-2,3-diphenyl-5-benzimidazolyl)oxy]hexanoic acid IUPAC Name: 6-(4,6-dinitro-2,3-diphenylbenzimidazol-5-yl)oxyhexanoic acid Traditional Name: 6-(4,6-dinitro-2,3-diphenyl-benzimidazol-5-yl)oxyhexanoic acid Formula: C25H22N4O7 MolecularWeight: 490.46478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC(=C(C(=C3N2C4=CC=CC=C4)[N+](=O)[O-])OCCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC(=C(C(=C3N2C4=CC=CC=C4)[N+](=O)[O-])OCCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O7/c30-21(31)14-8-3-9-15-36-24-20(28(32)33)16-19-22(23(24)29(34)35)27(18-12-6-2-7-13-18)25(26-19)17-10-4-1-5-11-17/h1-2,4-7,10-13,16H,3,8-9,14-15H2,(H,30,31)