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

Systemtic Name: 2-[4-(4-decan-2-yloxy-3-nitro-phenyl)phenyl]benzoate Openeye Name: 2-[4-[4-(1-methylnonoxy)-3-nitro-phenyl]phenyl]benzoate CAS Name: 2-[4-(4-decan-2-yloxy-3-nitrophenyl)phenyl]benzoate IUPAC Name: 2-[4-(4-decan-2-yloxy-3-nitrophenyl)phenyl]benzoate Traditional Name: 2-[4-[4-(1-methylnonoxy)-3-nitro-phenyl]phenyl]benzoate Formula: C29H32NO5- MolecularWeight: 474.56808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33NO5/c1-3-4-5-6-7-8-11-21(2)35-28-19-18-24(20-27(28)30(33)34)22-14-16-23(17-15-22)25-12-9-10-13-26(25)29(31)32/h9-10,12-21H,3-8,11H2,1-2H3,(H,31,32)/p-1