O2-(2-methylbutyl) O1-phenyl 3-nitro-4-tetradecoxy-benzene-1,2-dicarboxylate

Systemtic Name: O2-(2-methylbutyl) O1-phenyl 3-nitro-4-tetradecoxy-benzene-1,2-dicarboxylate Openeye Name: O2-(2-methylbutyl) O1-phenyl 3-nitro-4-tetradecoxy-benzene-1,2-dicarboxylate CAS Name: 3-nitro-4-tetradecoxybenzene-1,2-dicarboxylic acid O2-(2-methylbutyl) ester O1-phenyl ester IUPAC Name: 2-O-(2-methylbutyl) 1-O-phenyl 3-nitro-4-tetradecoxybenzene-1,2-dicarboxylate Traditional Name: 4-myristyloxy-3-nitro-benzene-1,2-dicarboxylic acid O2-(2-methylbutyl) ester O1-phenyl ester Formula: C33H47NO7 MolecularWeight: 569.72878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)CC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)C(=O)OCC(C)CC)[N+](=O)[O-]

InChI

InChI=1S/C33H47NO7/c1-4-6-7-8-9-10-11-12-13-14-15-19-24-39-29-23-22-28(32(35)41-27-20-17-16-18-21-27)30(31(29)34(37)38)33(36)40-25-26(3)5-2/h16-18,20-23,26H,4-15,19,24-25H2,1-3H3