3-[1,2-bis(oxidanyl)ethyl]-5-nitro-benzoic acid

Systemtic Name: 3-[1,2-bis(oxidanyl)ethyl]-5-nitro-benzoic acid Openeye Name: 3-(1,2-dihydroxyethyl)-5-nitro-benzoic acid CAS Name: 3-(1,2-dihydroxyethyl)-5-nitrobenzoic acid IUPAC Name: 3-(1,2-dihydroxyethyl)-5-nitrobenzoic acid Traditional Name: 3-(1,2-dihydroxyethyl)-5-nitro-benzoic acid Formula: C9H9NO6 MolecularWeight: 227.17086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO6/c11-4-8(12)5-1-6(9(13)14)3-7(2-5)10(15)16/h1-3,8,11-12H,4H2,(H,13,14)