2-[4-(3-nitro-4-octan-2-yloxy-phenyl)phenyl]benzoate

Systemtic Name: 2-[4-(3-nitro-4-octan-2-yloxy-phenyl)phenyl]benzoate Openeye Name: 2-[4-[4-(1-methylheptoxy)-3-nitro-phenyl]phenyl]benzoate CAS Name: 2-[4-(3-nitro-4-octan-2-yloxyphenyl)phenyl]benzoate IUPAC Name: 2-[4-(3-nitro-4-octan-2-yloxyphenyl)phenyl]benzoate Traditional Name: 2-[4-[4-(1-methylheptoxy)-3-nitro-phenyl]phenyl]benzoate Formula: C27H28NO5- MolecularWeight: 446.51492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H29NO5/c1-3-4-5-6-9-19(2)33-26-17-16-22(18-25(26)28(31)32)20-12-14-21(15-13-20)23-10-7-8-11-24(23)27(29)30/h7-8,10-19H,3-6,9H2,1-2H3,(H,29,30)/p-1