4-(4-dodecoxy-3-nitro-phenyl)benzoic acid

Systemtic Name: 4-(4-dodecoxy-3-nitro-phenyl)benzoic acid Openeye Name: 4-(4-dodecoxy-3-nitro-phenyl)benzoic acid CAS Name: 4-(4-dodecoxy-3-nitrophenyl)benzoic acid IUPAC Name: 4-(4-dodecoxy-3-nitrophenyl)benzoic acid Traditional Name: 4-(4-lauryloxy-3-nitro-phenyl)benzoic acid Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C25H33NO5/c1-2-3-4-5-6-7-8-9-10-11-18-31-24-17-16-22(19-23(24)26(29)30)20-12-14-21(15-13-20)25(27)28/h12-17,19H,2-11,18H2,1H3,(H,27,28)