3,6-dimethyl-2-[4-(nitrooxymethyl)phenoxy]carbonyl-benzoic acid

Systemtic Name: 3,6-dimethyl-2-[4-(nitrooxymethyl)phenoxy]carbonyl-benzoic acid Openeye Name: 3,6-dimethyl-2-[4-(nitrooxymethyl)phenoxy]carbonyl-benzoic acid CAS Name: 3,6-dimethyl-2-[[4-(nitrooxymethyl)phenoxy]-oxomethyl]benzoic acid IUPAC Name: 3,6-dimethyl-2-[4-(nitrooxymethyl)phenoxy]carbonylbenzoic acid Traditional Name: 3,6-dimethyl-2-[4-(nitrooxymethyl)phenoxy]carbonyl-benzoic acid Formula: C17H15NO7 MolecularWeight: 345.3035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C)C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H15NO7/c1-10-3-4-11(2)15(14(10)16(19)20)17(21)25-13-7-5-12(6-8-13)9-24-18(22)23/h3-8H,9H2,1-2H3,(H,19,20)