[3-methyl-4-[2-methyl-6-nitro-4-(4-octoxyphenyl)carbonyloxy-phenyl]-5-nitro-phenyl] 4-octoxybenzoate

Systemtic Name: [3-methyl-4-[2-methyl-6-nitro-4-(4-octoxyphenyl)carbonyloxy-phenyl]-5-nitro-phenyl] 4-octoxybenzoate Openeye Name: [3-methyl-4-[2-methyl-6-nitro-4-(4-octoxybenzoyl)oxy-phenyl]-5-nitro-phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [3-methyl-4-[2-methyl-6-nitro-4-[(4-octoxyphenyl)-oxomethoxy]phenyl]-5-nitrophenyl] ester IUPAC Name: [3-methyl-4-[2-methyl-6-nitro-4-(4-octoxybenzoyl)oxyphenyl]-5-nitrophenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [3-methyl-4-[2-methyl-6-nitro-4-(4-octoxybenzoyl)oxy-phenyl]-5-nitro-phenyl] ester Formula: C44H52N2O10 MolecularWeight: 768.89108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)C)C3=C(C=C(C=C3C)OC(=O)C4=CC=C(C=C4)OCCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C(=C2)C)C3=C(C=C(C=C3C)OC(=O)C4=CC=C(C=C4)OCCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C44H52N2O10/c1-5-7-9-11-13-15-25-53-35-21-17-33(18-22-35)43(47)55-37-27-31(3)41(39(29-37)45(49)50)42-32(4)28-38(30-40(42)46(51)52)56-44(48)34-19-23-36(24-20-34)54-26-16-14-12-10-8-6-2/h17-24,27-30H,5-16,25-26H2,1-4H3