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REACH

Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate

EC number: 271-176-6 | CAS number: 68516-73-4

Life Cycle description
Uses advised against

Reference substances

Currently viewing:

IUPAC name:: tetramethyl 2,2'-{1,4-phenylenebis[imino(1,3-dioxobutane-2,1-diyl)diazene-2,1-diyl]}diterephthalate

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
CAS number:: 68516-73-4

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
Identifier:: IUPAC name; Tetramethyl 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxoethane-1,2-diyl)azo]]bisterephthalate
Identifier:: IUPAC name; tetramethyl 2,2'-{1,4-phenylenebis[imino(1,3-dioxobutane-2,1-diyl) diazene-2,1-diyl]}diterephthalate
Identifier:: other: 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+
Identifier:: other: SMILES notation; COC(=O)c3cc(N=NC(=O)C(Nc1ccc(cc1)NC(C(=O)N=Nc2cc(ccc2C(=O)OC)C(=O)OC)C(C)=O)C(C)=O)c(cc3)C(=O)OC
Identifier:: other: InChl; InChI=1/C34H32N6O12/c1-17(41)27(29(43)39-37-25-15-19(31(45)49-3)7-13-23(25)33(47)51-5)35-21-9-11-22(12-10-21)36-28(18(2)42)30(44)40-38-26-16-20(32(46)50-4)8-14-24(26)34(48)52-6/h7-16,27-28,35-36H,1-6H3
Identifier:: other: SMILES notation; O=C(C(N=Nc1cc(ccc1C(=O)OC)C(=O)OC)C(=O)C)Nc1ccc(cc1)NC(=O)C(N=Nc1c(ccc(c1)C(=O)OC)C(=O)OC)C(=O)C

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:

Related substances

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