4-chloranyl-3,5-dinitro-2-pentyl-benzoic acid

Systemtic Name: 4-chloranyl-3,5-dinitro-2-pentyl-benzoic acid Openeye Name: 4-chloro-3,5-dinitro-2-pentyl-benzoic acid CAS Name: 4-chloro-3,5-dinitro-2-pentylbenzoic acid IUPAC Name: 4-chloro-3,5-dinitro-2-pentylbenzoic acid Traditional Name: 2-amyl-4-chloro-3,5-dinitro-benzoic acid Formula: C12H13ClN2O6 MolecularWeight: 316.69442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1C(=O)O)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H13ClN2O6/c1-2-3-4-5-7-8(12(16)17)6-9(14(18)19)10(13)11(7)15(20)21/h6H,2-5H2,1H3,(H,16,17)