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

Systemtic Name: O3-(3-chloranyl-2-methyl-butyl) O1-phenyl 4-(4-dodecoxy-3-nitro-phenyl)benzene-1,3-dicarboxylate Openeye Name: O3-(3-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-(3-chloro-2-methylbutyl) ester O1-phenyl ester IUPAC Name: 3-O-(3-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-(3-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)C(C)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)C(C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C37H46ClNO7/c1-4-5-6-7-8-9-10-11-12-16-23-44-35-22-20-29(25-34(35)39(42)43)32-21-19-30(36(40)46-31-17-14-13-15-18-31)24-33(32)37(41)45-26-27(2)28(3)38/h13-15,17-22,24-25,27-28H,4-12,16,23,26H2,1-3H3