sodium 3-butoxy-5-nitro-4-(phenylcarbonyl)benzoate

Systemtic Name: sodium 3-butoxy-5-nitro-4-(phenylcarbonyl)benzoate Openeye Name: sodium 4-benzoyl-3-butoxy-5-nitro-benzoate CAS Name: sodium 4-benzoyl-3-butoxy-5-nitrobenzoate IUPAC Name: sodium 4-benzoyl-3-butoxy-5-nitrobenzoate Traditional Name: sodium 4-benzoyl-3-butoxy-5-nitro-benzoate Formula: C18H16NNaO6 MolecularWeight: 365.31251

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-].[Na+]

Isomeric SMILES

CCCCOC1=CC(=CC(=C1C(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)[O-].[Na+]

InChI

InChI=1S/C18H17NO6.Na/c1-2-3-9-25-15-11-13(18(21)22)10-14(19(23)24)16(15)17(20)12-7-5-4-6-8-12;/h4-8,10-11H,2-3,9H2,1H3,(H,21,22);/q;+1/p-1