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Reference substances

Reference substances

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General information

Inventory

EC number:
271-176-6
EC name:
Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate
CAS number:
68516-73-4

No inventory information available

Reference substance information

IUPAC name:
tetramethyl 2,2'-{1,4-phenylenebis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}diterephthalate
Synonyms
Names:
1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino( 1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis-, tetramethyl ester
1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis-,
1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)azo]]bis-, tetramethyl ester

CAS information

CAS number:
68516-73-4

Molecular and structural information

Molecular formula:
C34H32N6O12
Molecular weight:
716.651
SMILES notation:
CC(=O)C(/N=N/c1c(ccc(c1)C(=O)OC)C(=O)OC)C(=O)Nc2ccc(cc2)NC(=O)C(/N=N/c3c(ccc(c3)C(=O)OC)C(=O)OC)C(=O)C
InChl:
InChI=1S/C34H32N6O12/c1-17(41)27(39-37-25-15-19(31(45)49-3)7-13-23(25)33(47)51-5)29(43)35-21-9-11-22(12-10-21)36-30(44)28(18(2)42)40-38-26-16-20(32(46)50-4)8-14-24(26)34(48)52-6/h7-16,27-28H,1-6H3,(H,35,43)(H,36,44)/b39-37+,40-38+
Structural formula:
Chemical structure