(2S,3R,4R)-4-(hydroxymethyl)-5-nitro-2,3-bis(phenylmethoxy)pentanal

Systemtic Name: (2S,3R,4R)-4-(hydroxymethyl)-5-nitro-2,3-bis(phenylmethoxy)pentanal Openeye Name: (2S,3R,4R)-2,3-dibenzyloxy-4-(hydroxymethyl)-5-nitro-pentanal CAS Name: (2S,3R,4R)-4-(hydroxymethyl)-5-nitro-2,3-bis(phenylmethoxy)pentanal IUPAC Name: (2S,3R,4R)-4-(hydroxymethyl)-5-nitro-2,3-bis(phenylmethoxy)pentanal Traditional Name: (2S,3R,4R)-2,3-dibenzoxy-4-methylol-5-nitro-valeraldehyde Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(C=O)C(C(C[N+](=O)[O-])CO)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CO[C@H](C=O)[C@@H]([C@H](C[N+](=O)[O-])CO)OCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO6/c22-12-18(11-21(24)25)20(27-15-17-9-5-2-6-10-17)19(13-23)26-14-16-7-3-1-4-8-16/h1-10,13,18-20,22H,11-12,14-15H2/t18-,19-,20-/m1/s1