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

Systemtic Name: O3-(2-methylbutyl) O1-phenyl 4-(3-nitro-4-tetradecoxy-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-methylbutyl) O1-phenyl 4-(3-nitro-4-tetradecoxy-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(3-nitro-4-tetradecoxyphenyl)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-tetradecoxyphenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-myristyloxy-3-nitro-phenyl)benzene-1,3-dicarboxylic acid O3-(2-methylbutyl) ester O1-phenyl ester Formula: C39H51NO7 MolecularWeight: 645.82474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=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

CCCCCCCCCCCCCCOC1=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/C39H51NO7/c1-4-6-7-8-9-10-11-12-13-14-15-19-26-45-37-25-23-31(28-36(37)40(43)44)34-24-22-32(38(41)47-33-20-17-16-18-21-33)27-35(34)39(42)46-29-30(3)5-2/h16-18,20-25,27-28,30H,4-15,19,26,29H2,1-3H3