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

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-nitro-4-octan-2-yloxy-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-(1-methylheptoxy)-3-nitro-benzoate CAS Name: 3-nitro-4-octan-2-yloxybenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-nitro-4-octan-2-yloxybenzoate Traditional Name: 4-(1-methylheptoxy)-3-nitro-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C36H45NO7 MolecularWeight: 603.745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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