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

Systemtic Name: 3-nitro-4-octan-2-yloxy-2-phenyl-benzoic acid Openeye Name: 4-(1-methylheptoxy)-3-nitro-2-phenyl-benzoic acid CAS Name: 3-nitro-4-octan-2-yloxy-2-phenylbenzoic acid IUPAC Name: 3-nitro-4-octan-2-yloxy-2-phenylbenzoic acid Traditional Name: 4-(1-methylheptoxy)-3-nitro-2-phenyl-benzoic acid Formula: C21H25NO5 MolecularWeight: 371.4269

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C(=C(C=C1)C(=O)O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C(=C(C=C1)C(=O)O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H25NO5/c1-3-4-5-7-10-15(2)27-18-14-13-17(21(23)24)19(20(18)22(25)26)16-11-8-6-9-12-16/h6,8-9,11-15H,3-5,7,10H2,1-2H3,(H,23,24)