4-[3,5-bis(2,3-dinitro-4-oxidanyl-phenyl)phenyl]-2,3-dinitro-phenol

Systemtic Name: 4-[3,5-bis(2,3-dinitro-4-oxidanyl-phenyl)phenyl]-2,3-dinitro-phenol Openeye Name: 4-[3,5-bis(4-hydroxy-2,3-dinitro-phenyl)phenyl]-2,3-dinitro-phenol CAS Name: 4-[3,5-bis(4-hydroxy-2,3-dinitrophenyl)phenyl]-2,3-dinitrophenol IUPAC Name: 4-[3,5-bis(4-hydroxy-2,3-dinitrophenyl)phenyl]-2,3-dinitrophenol Traditional Name: 4-[3,5-bis(4-hydroxy-2,3-dinitro-phenyl)phenyl]-2,3-dinitro-phenol Formula: C24H12N6O15 MolecularWeight: 624.38328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1C2=CC(=CC(=C2)C3=C(C(=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-])C4=C(C(=C(C=C4)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC(=C(C(=C1C2=CC(=CC(=C2)C3=C(C(=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-])C4=C(C(=C(C=C4)O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C24H12N6O15/c31-16-4-1-13(19(25(34)35)22(16)28(40)41)10-7-11(14-2-5-17(32)23(29(42)43)20(14)26(36)37)9-12(8-10)15-3-6-18(33)24(30(44)45)21(15)27(38)39/h1-9,31-33H