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

Systemtic Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-nitro-4-nonan-3-yloxy-benzoate Openeye Name: [4-(4-octoxycarbonylphenyl)phenyl] 4-(1-ethylheptoxy)-3-nitro-benzoate CAS Name: 3-nitro-4-nonan-3-yloxybenzoic acid [4-[4-[octoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonylphenyl)phenyl] 3-nitro-4-nonan-3-yloxybenzoate Traditional Name: 4-(1-ethylheptoxy)-3-nitro-benzoic acid [4-(4-octoxycarbonylphenyl)phenyl] ester Formula: C37H47NO7 MolecularWeight: 617.77158

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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(CC)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(CC)CCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C37H47NO7/c1-4-7-9-11-12-14-26-43-36(39)30-18-16-28(17-19-30)29-20-23-33(24-21-29)45-37(40)31-22-25-35(34(27-31)38(41)42)44-32(6-3)15-13-10-8-5-2/h16-25,27,32H,4-15,26H2,1-3H3