O3-(2-methylbutyl) O1-phenyl 4-(3-nitro-4-octoxy-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: O3-(2-methylbutyl) O1-phenyl 4-(3-nitro-4-octoxy-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-methylbutyl) O1-phenyl 4-(3-nitro-4-octoxy-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(3-nitro-4-octoxyphenyl)benzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(2-methylbutyl) 1-O-phenyl 4-(3-nitro-4-octoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(3-nitro-4-octoxy-phenyl)benzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester Formula: C33H39NO7 MolecularWeight: 561.66526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C33H39NO7/c1-4-6-7-8-9-13-20-39-31-19-17-25(22-30(31)34(37)38)28-18-16-26(32(35)41-27-14-11-10-12-15-27)21-29(28)33(36)40-23-24(3)5-2/h10-12,14-19,21-22,24H,4-9,13,20,23H2,1-3H3