1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 1,3-Dihydro-1,3-Dioxo-5-Isobenzofurancarboxylic Acid, 2,2-Dimethyl-1,3-Propanediol And Hexanedioic Acid
[CAS# 61424-53-1]

Identification

• Name: 1,3-Benzenedicarboxylic Acid, Polymer With 1,4-Benzenedicarboxylic Acid, 1,3-Dihydro-1,3-Dioxo-5-Isobenzofurancarboxylic Acid, 2,2-Dimethyl-1,3-Propanediol And Hexanedioic Acid
• Synonyms: Adipic Acid; 4-[3-(1,3-Dioxoisobenzofuran-5-Carbonyl)Oxy-2,2-Dimethyl-Propoxy]Carbonylbenzoic Acid; Isophthalic Acid; Adipic Acid; 4-[[3-[(1,3-Dioxo-5-Isobenzofuranyl)-Oxomethoxy]-2,2-Dimethylpropoxy]-Oxomethyl]Benzoic Acid; Isophthalic Acid
• Molecular Formula: C₃₆H₃₄O₁₇
• Molecular Weight: 738.65
• CAS Registry Number: 61424-53-1
• SMILES: C1=C(C=CC2=C1C(OC2=O)=O)C(OCC(COC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)=O.C4=C(C=CC=C4C(=O)O)C(=O)O.C(C(=O)O)CCCC(=O)O
• InChI: 1S/C22H18O9.C8H6O4.C6H10O4/c1-22(2,10-29-18(25)13-5-3-12(4-6-13)17(23)24)11-30-19(26)14-7-8-15-16(9-14)21(28)31-20(15)27;9-7(10)5-2-1-3-6(4-5)8(11)12;7-5(8)3-1-2-4-6(9)10/h3-9H,10-11H2,1-2H3,(H,23,24);1-4H,(H,9,10)(H,11,12);1-4H2,(H,7,8)(H,9,10)
• InChIKey: GLIHIHIDIHNGPY-UHFFFAOYSA-N