1-(4-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol

Systemtic Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol Openeye Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol CAS Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol IUPAC Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol Traditional Name: 1-(4-chlorophenyl)-3-(4-nitrophenyl)butane-1,4-diol Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(C2=CC=C(C=C2)Cl)O)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(CC(C2=CC=C(C=C2)Cl)O)CO)[N+](=O)[O-]

InChI

InChI=1S/C16H16ClNO4/c17-14-5-1-12(2-6-14)16(20)9-13(10-19)11-3-7-15(8-4-11)18(21)22/h1-8,13,16,19-20H,9-10H2