(4-octoxycarbonylphenyl) 4-[4-(2-methylbutoxy)-3-nitro-phenyl]benzoate

Systemtic Name: (4-octoxycarbonylphenyl) 4-[4-(2-methylbutoxy)-3-nitro-phenyl]benzoate Openeye Name: (4-octoxycarbonylphenyl) 4-[4-(2-methylbutoxy)-3-nitro-phenyl]benzoate CAS Name: 4-[4-(2-methylbutoxy)-3-nitrophenyl]benzoic acid [4-[octoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octoxycarbonylphenyl) 4-[4-(2-methylbutoxy)-3-nitrophenyl]benzoate Traditional Name: 4-[4-(2-methylbutoxy)-3-nitro-phenyl]benzoic acid (4-octoxycarbonylphenyl) ester Formula: C33H39NO7 MolecularWeight: 561.66526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)OCC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C33H39NO7/c1-4-6-7-8-9-10-21-39-32(35)26-15-18-29(19-16-26)41-33(36)27-13-11-25(12-14-27)28-17-20-31(30(22-28)34(37)38)40-23-24(3)5-2/h11-20,22,24H,4-10,21,23H2,1-3H3