(2-methyl-5-nitro-4-octan-2-yloxy-phenyl) 4-(5-methyl-2-nitro-4-octan-2-yloxy-phenyl)benzoate

Systemtic Name: (2-methyl-5-nitro-4-octan-2-yloxy-phenyl) 4-(5-methyl-2-nitro-4-octan-2-yloxy-phenyl)benzoate Openeye Name: [2-methyl-4-(1-methylheptoxy)-5-nitro-phenyl] 4-[5-methyl-4-(1-methylheptoxy)-2-nitro-phenyl]benzoate CAS Name: 4-(5-methyl-2-nitro-4-octan-2-yloxyphenyl)benzoic acid (2-methyl-5-nitro-4-octan-2-yloxyphenyl) ester IUPAC Name: (2-methyl-5-nitro-4-octan-2-yloxyphenyl) 4-(5-methyl-2-nitro-4-octan-2-yloxyphenyl)benzoate Traditional Name: 4-[5-methyl-4-(1-methylheptoxy)-2-nitro-phenyl]benzoic acid [2-methyl-4-(1-methylheptoxy)-5-nitro-phenyl] ester Formula: C37H48N2O8 MolecularWeight: 648.78562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C(=C1)C)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3[N+](=O)[O-])OC(C)CCCCCC)C)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C(=C1)C)OC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3[N+](=O)[O-])OC(C)CCCCCC)C)[N+](=O)[O-]

InChI

InChI=1S/C37H48N2O8/c1-7-9-11-13-15-27(5)45-34-23-32(38(41)42)31(21-25(34)3)29-17-19-30(20-18-29)37(40)47-35-24-33(39(43)44)36(22-26(35)4)46-28(6)16-14-12-10-8-2/h17-24,27-28H,7-16H2,1-6H3