2-[2-nitro-6-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]propane-1,3-diol

Systemtic Name: 2-[2-nitro-6-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]propane-1,3-diol Openeye Name: 2-[2-benzyloxy-4-(benzyloxymethyl)-6-nitro-phenyl]propane-1,3-diol CAS Name: 2-[2-nitro-6-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]propane-1,3-diol IUPAC Name: 2-[2-nitro-6-phenylmethoxy-4-(phenylmethoxymethyl)phenyl]propane-1,3-diol Traditional Name: 2-[2-benzoxy-4-(benzoxymethyl)-6-nitro-phenyl]propane-1,3-diol Formula: C24H25NO6 MolecularWeight: 423.4584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC(=C(C(=C2)OCC3=CC=CC=C3)C(CO)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC(=C(C(=C2)OCC3=CC=CC=C3)C(CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C24H25NO6/c26-13-21(14-27)24-22(25(28)29)11-20(16-30-15-18-7-3-1-4-8-18)12-23(24)31-17-19-9-5-2-6-10-19/h1-12,21,26-27H,13-17H2