2,2-bis(3-nitro-2-oxidanyl-phenyl)pentanoic acid

Systemtic Name: 2,2-bis(3-nitro-2-oxidanyl-phenyl)pentanoic acid Openeye Name: 2,2-bis(2-hydroxy-3-nitro-phenyl)pentanoic acid CAS Name: 2,2-bis(2-hydroxy-3-nitrophenyl)pentanoic acid IUPAC Name: 2,2-bis(2-hydroxy-3-nitrophenyl)pentanoic acid Traditional Name: 2,2-bis(2-hydroxy-3-nitro-phenyl)valeric acid Formula: C17H16N2O8 MolecularWeight: 376.31754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C(=CC=C1)[N+](=O)[O-])O)(C2=C(C(=CC=C2)[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CCCC(C1=C(C(=CC=C1)[N+](=O)[O-])O)(C2=C(C(=CC=C2)[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C17H16N2O8/c1-2-9-17(16(22)23,10-5-3-7-12(14(10)20)18(24)25)11-6-4-8-13(15(11)21)19(26)27/h3-8,20-21H,2,9H2,1H3,(H,22,23)