[5-[4-[3-(hydroxymethyl)-4-nitro-phenoxy]butoxy]-2-nitro-phenyl]methanol

Systemtic Name: [5-[4-[3-(hydroxymethyl)-4-nitro-phenoxy]butoxy]-2-nitro-phenyl]methanol Openeye Name: [5-[4-[3-(hydroxymethyl)-4-nitro-phenoxy]butoxy]-2-nitro-phenyl]methanol CAS Name: [5-[4-[3-(hydroxymethyl)-4-nitrophenoxy]butoxy]-2-nitrophenyl]methanol IUPAC Name: [5-[4-[3-(hydroxymethyl)-4-nitrophenoxy]butoxy]-2-nitrophenyl]methanol Traditional Name: [5-[4-(3-methylol-4-nitro-phenoxy)butoxy]-2-nitro-phenyl]methanol Formula: C18H20N2O8 MolecularWeight: 392.36

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OCCCCOC2=CC(=C(C=C2)[N+](=O)[O-])CO)CO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1OCCCCOC2=CC(=C(C=C2)[N+](=O)[O-])CO)CO)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O8/c21-11-13-9-15(3-5-17(13)19(23)24)27-7-1-2-8-28-16-4-6-18(20(25)26)14(10-16)12-22/h3-6,9-10,21-22H,1-2,7-8,11-12H2