(4-decoxycarbonylphenyl) 3-nitro-4-octan-2-yloxy-benzoate

Systemtic Name: (4-decoxycarbonylphenyl) 3-nitro-4-octan-2-yloxy-benzoate Openeye Name: (4-decoxycarbonylphenyl) 4-(1-methylheptoxy)-3-nitro-benzoate CAS Name: 3-nitro-4-octan-2-yloxybenzoic acid [4-[decoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-decoxycarbonylphenyl) 3-nitro-4-octan-2-yloxybenzoate Traditional Name: 4-(1-methylheptoxy)-3-nitro-benzoic acid (4-decoxycarbonylphenyl) ester Formula: C32H45NO7 MolecularWeight: 555.7022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H45NO7/c1-4-6-8-10-11-12-13-15-23-38-31(34)26-17-20-28(21-18-26)40-32(35)27-19-22-30(29(24-27)33(36)37)39-25(3)16-14-9-7-5-2/h17-22,24-25H,4-16,23H2,1-3H3