2-nitro-4-octan-2-yloxy-benzoic acid

Systemtic Name: 2-nitro-4-octan-2-yloxy-benzoic acid Openeye Name: 4-(1-methylheptoxy)-2-nitro-benzoic acid CAS Name: 2-nitro-4-octan-2-yloxybenzoic acid IUPAC Name: 2-nitro-4-octan-2-yloxybenzoic acid Traditional Name: 4-(1-methylheptoxy)-2-nitro-benzoic acid Formula: C15H21NO5 MolecularWeight: 295.33094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H21NO5/c1-3-4-5-6-7-11(2)21-12-8-9-13(15(17)18)14(10-12)16(19)20/h8-11H,3-7H2,1-2H3,(H,17,18)