5-nitro-2-(3-oxidanylpropoxy)benzoic acid

Systemtic Name: 5-nitro-2-(3-oxidanylpropoxy)benzoic acid Openeye Name: 2-(3-hydroxypropoxy)-5-nitro-benzoic acid CAS Name: 2-(3-hydroxypropoxy)-5-nitrobenzoic acid IUPAC Name: 2-(3-hydroxypropoxy)-5-nitrobenzoic acid Traditional Name: 2-(3-hydroxypropoxy)-5-nitro-benzoic acid Formula: C10H11NO6 MolecularWeight: 241.19744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO6/c12-4-1-5-17-9-3-2-7(11(15)16)6-8(9)10(13)14/h2-3,6,12H,1,4-5H2,(H,13,14)