1,3-Benzenedicarboxylic acid, polymer with 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol, 1,2-ethanediol and 5-sulfo-1,3-benzenedicarboxylic acid monosodium salt

73144-93-1

CAS Name

1,3-Benzenedicarboxylic acid, 5-sulfo-, sodium salt (1:1), polymer with 1,3-benzenedicarboxylic acid, 1,4-benzenedicarboxylic acid, 2,2-dimethyl-1,3-propanediol and 1,2-ethanediol

Molecular Formula

(C₈H₆O₇S.C₈H₆O₄.C₈H₆O₄.C₅H₁₂O₂.C₂H₆O₂.Na)_x

Molecular Mass

767.66

Other Names and Identifiers

InChI

InChI=1S/C8H6O7S.2C8H6O4.C5H12O2.C2H6O2.Na/c9-7(10)4-1-5(8(11)12)3-6(2-4)16(13,14)15;9-7(10)5-1-2-6(4-3-5)8(11)12;9-7(10)5-2-1-3-6(4-5)8(11)12;1-5(2,3-6)4-7;3-1-2-4;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);2*1-4H,(H,9,10)(H,11,12);6-7H,3-4H2,1-2H3;3-4H,1-2H2;

InChIKey

InChIKey=UQXPJGKCIXQURB-UHFFFAOYSA-N

Canonical SMILES

[Na].O=C(O)C1=CC=C(C=C1)C(=O)O.O=C(O)C1=CC=CC(=C1)C(=O)O.O=C(O)C=1C=C(C=C(C1)S(=O)(=O)O)C(=O)O.OCCO.OCC(C)(C)CO

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

85444-59-3, 331722-12-4, 1248581-08-9, 1373517-27-1, 1802318-94-0