3,5-dinitro-2-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]benzoic acid

Systemtic Name: 3,5-dinitro-2-[(6-oxidanyl-6-oxidanylidene-hexyl)amino]benzoic acid Openeye Name: 2-[(6-hydroxy-6-oxo-hexyl)amino]-3,5-dinitro-benzoic acid CAS Name: 2-[(6-hydroxy-6-oxohexyl)amino]-3,5-dinitrobenzoic acid IUPAC Name: 2-[(6-hydroxy-6-oxohexyl)amino]-3,5-dinitrobenzoic acid Traditional Name: 2-[(6-hydroxy-6-keto-hexyl)amino]-3,5-dinitro-benzoic acid Formula: C13H15N3O8 MolecularWeight: 341.2735

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O8/c17-11(18)4-2-1-3-5-14-12-9(13(19)20)6-8(15(21)22)7-10(12)16(23)24/h6-7,14H,1-5H2,(H,17,18)(H,19,20)