1,4-bis(3-nitrophenoxy)butan-2-ol

Systemtic Name: 1,4-bis(3-nitrophenoxy)butan-2-ol Openeye Name: 1,4-bis(3-nitrophenoxy)butan-2-ol CAS Name: 1,4-bis(3-nitrophenoxy)-2-butanol IUPAC Name: 1,4-bis(3-nitrophenoxy)butan-2-ol Traditional Name: 1,4-bis(3-nitrophenoxy)butan-2-ol Formula: C16H16N2O7 MolecularWeight: 348.30744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OCCC(COC2=CC=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OCCC(COC2=CC=CC(=C2)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O7/c19-14(11-25-16-6-2-4-13(10-16)18(22)23)7-8-24-15-5-1-3-12(9-15)17(20)21/h1-6,9-10,14,19H,7-8,11H2