[4-(4-octoxycarbonylphenyl)phenyl] 3-nitro-4-octoxy-benzoate

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-nitro-4-octoxy-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-nitro-4-octoxy-benzoate CAS Name: 3-nitro-4-octoxybenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-nitro-4-octoxybenzoate Traditional Name: 3-nitro-4-octoxy-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C36H45NO7 MolecularWeight: 603.745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)OCCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C36H45NO7/c1-3-5-7-9-11-13-25-42-34-24-21-31(27-33(34)37(40)41)36(39)44-32-22-19-29(20-23-32)28-15-17-30(18-16-28)35(38)43-26-14-12-10-8-6-4-2/h15-24,27H,3-14,25-26H2,1-2H3