(2S)-3-(3,5-dinitro-4-oxidanyl-phenyl)-2-phenyl-propanoic acid

Systemtic Name: (2S)-3-(3,5-dinitro-4-oxidanyl-phenyl)-2-phenyl-propanoic acid Openeye Name: (2S)-3-(4-hydroxy-3,5-dinitro-phenyl)-2-phenyl-propanoic acid CAS Name: (2S)-3-(4-hydroxy-3,5-dinitrophenyl)-2-phenylpropanoic acid IUPAC Name: (2S)-3-(4-hydroxy-3,5-dinitrophenyl)-2-phenylpropanoic acid Traditional Name: (2S)-3-(4-hydroxy-3,5-dinitro-phenyl)-2-phenyl-propionic acid Formula: C15H12N2O7 MolecularWeight: 332.26498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC2=CC(=C(C(=C2)[N+](=O)[O-])O)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H12N2O7/c18-14-12(16(21)22)7-9(8-13(14)17(23)24)6-11(15(19)20)10-4-2-1-3-5-10/h1-5,7-8,11,18H,6H2,(H,19,20)/t11-/m0/s1