O3-(2-chloranyl-2-methyl-butyl) O1-phenyl 4-(4-dodecoxy-3-nitro-phenyl)benzene-1,3-dicarboxylate

Systemtic Name: O3-(2-chloranyl-2-methyl-butyl) O1-phenyl 4-(4-dodecoxy-3-nitro-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(2-chloro-2-methyl-butyl) O1-phenyl 4-(4-dodecoxy-3-nitro-phenyl)benzene-1,3-dicarboxylate CAS Name: 4-(4-dodecoxy-3-nitrophenyl)benzene-1,3-dicarboxylic acid O3-(2-chloro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(2-chloro-2-methylbutyl) 1-O-phenyl 4-(4-dodecoxy-3-nitrophenyl)benzene-1,3-dicarboxylate Traditional Name: 4-(4-lauryloxy-3-nitro-phenyl)benzene-1,3-dicarboxylic acid O3-(2-chloro-2-methyl-butyl) ester O1-phenyl ester Formula: C37H46ClNO7 MolecularWeight: 652.21664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)C(=O)OCC(C)(CC)Cl)[N+](=O)[O-]

InChI

InChI=1S/C37H46ClNO7/c1-4-6-7-8-9-10-11-12-13-17-24-44-34-23-21-28(26-33(34)39(42)43)31-22-20-29(35(40)46-30-18-15-14-16-19-30)25-32(31)36(41)45-27-37(3,38)5-2/h14-16,18-23,25-26H,4-13,17,24,27H2,1-3H3