CAS Registry Number®
347174-87-2
CAS Name
1,4-Benzenedicarboxylic acid, 2,2′-[(2-chloro-1,4-phenylene)bis[imino[(1-acetyl-2-oxo-2-ethanyl-1-ylidene)-1-hydrazinyl-2-ylidene]]]bis-, tetramethyl ester
Molecular Formula
C34H31ClN6O12
Molecular Mass
751.10
Other Names and Identifiers
InChI
InChI=1S/C34H31ClN6O12/c1-16(42)27(40-38-25-13-18(31(46)50-3)7-10-21(25)33(48)52-5)29(44)36-20-9-12-24(23(35)15-20)37-30(45)28(17(2)43)41-39-26-14-19(32(47)51-4)8-11-22(26)34(49)53-6/h7-15,38-39H,1-6H3,(H,36,44)(H,37,45)
InChIKey
InChIKey=DAOWQWHUBNZBNX-UHFFFAOYSA-N
SMILES
N(N=C(C(NC1=C(Cl)C=C(NC(C(=NNC2=C(C(OC)=O)C=CC(C(OC)=O)=C2)C(C)=O)=O)C=C1)=O)C(C)=O)C3=C(C(OC)=O)C=CC(C(OC)=O)=C3
Canonical SMILES
O=C(OC)C1=CC=C(C(=O)OC)C(=C1)NN=C(C(=O)NC2=CC=C(NC(=O)C(=NNC3=CC(=CC=C3C(=O)OC)C(=O)OC)C(=O)C)C(Cl)=C2)C(=O)C
Other Names for this Substance
- 1,4-Benzenedicarboxylic acid, 2,2′-[(2-chloro-1,4-phenylene)bis[imino[(1-acetyl-2-oxo-2-ethanyl-1-ylidene)-1-hydrazinyl-2-ylidene]]]bis-, tetramethyl ester
