2-nitro-3-(3-phosphonopentan-3-yl)benzoic acid

Systemtic Name: 2-nitro-3-(3-phosphonopentan-3-yl)benzoic acid Openeye Name: 3-(1-ethyl-1-phosphono-propyl)-2-nitro-benzoic acid CAS Name: 2-nitro-3-(3-phosphonopentan-3-yl)benzoic acid IUPAC Name: 2-nitro-3-(3-phosphonopentan-3-yl)benzoic acid Traditional Name: 3-(1-ethyl-1-phosphono-propyl)-2-nitro-benzoic acid Formula: C12H16NO7P MolecularWeight: 317.231701

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC(=C1[N+](=O)[O-])C(=O)O)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=CC(=C1[N+](=O)[O-])C(=O)O)P(=O)(O)O

InChI

InChI=1S/C12H16NO7P/c1-3-12(4-2,21(18,19)20)9-7-5-6-8(11(14)15)10(9)13(16)17/h5-7H,3-4H2,1-2H3,(H,14,15)(H2,18,19,20)