4,4-bis(3-nitro-4-oxidanyl-phenyl)pentanoic acid

Systemtic Name: 4,4-bis(3-nitro-4-oxidanyl-phenyl)pentanoic acid Openeye Name: 4,4-bis(4-hydroxy-3-nitro-phenyl)pentanoic acid CAS Name: 4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid IUPAC Name: 4,4-bis(4-hydroxy-3-nitrophenyl)pentanoic acid Traditional Name: 4,4-bis(4-hydroxy-3-nitro-phenyl)valeric acid Formula: C17H16N2O8 MolecularWeight: 376.31754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O8/c1-17(7-6-16(22)23,10-2-4-14(20)12(8-10)18(24)25)11-3-5-15(21)13(9-11)19(26)27/h2-5,8-9,20-21H,6-7H2,1H3,(H,22,23)