3,5-dinitro-2-oxidanyl-6-pentadecyl-benzoic acid

Systemtic Name: 3,5-dinitro-2-oxidanyl-6-pentadecyl-benzoic acid Openeye Name: 2-hydroxy-3,5-dinitro-6-pentadecyl-benzoic acid CAS Name: 2-hydroxy-3,5-dinitro-6-pentadecylbenzoic acid IUPAC Name: 2-hydroxy-3,5-dinitro-6-pentadecylbenzoic acid Traditional Name: 2-hydroxy-3,5-dinitro-6-pentadecyl-benzoic acid Formula: C22H34N2O7 MolecularWeight: 438.51456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O)C(=O)O

InChI

InChI=1S/C22H34N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-18(23(28)29)16-19(24(30)31)21(25)20(17)22(26)27/h16,25H,2-15H2,1H3,(H,26,27)