1,2-Ethanediol, polymer with 1,3-benzenedicarboxylic acid, 1,4-benzenedicarboxylic acid, 2,2′-[1,2-ethanediylbis(oxy)]bis[ethanol], 2,2′-oxybis[ethanol] and 5-sulfo-1,3-benzenedicarboxylic acid monosodium salt

90021-70-8

CAS Name

1,3-Benzenedicarboxylic acid, 5-sulfo-, sodium salt (1:1), polymer with 1,3-benzenedicarboxylic acid, 1,4-benzenedicarboxylic acid, 1,2-ethanediol, 2,2′-[1,2-ethanediylbis(oxy)]bis[ethanol] and 2,2′-oxybis[ethanol]

Molecular Formula

(C₈H₆O₇S.C₈H₆O₄.C₈H₆O₄.C₆H₁₄O₄.C₄H₁₀O₃.C₂H₆O₂.Na)_x

Other Names and Identifiers

InChI

InChI=1S/C8H6O7S.2C8H6O4.C6H14O4.C4H10O3.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;7-1-3-9-5-6-10-4-2-8;5-1-3-7-4-2-6;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);7-8H,1-6H2;5-6H,1-4H2;3-4H,1-2H2;

InChIKey

InChIKey=LMXFYYFCEUYCMT-UHFFFAOYSA-N

SMILES

S(=O)(=O)(O)C1=CC(C(O)=O)=CC(C(O)=O)=C1.[Na].C(O)(=O)C1=CC(C(O)=O)=CC=C1.C(COCCO)OCCO.O(CCO)CCO.C(CO)O.C(O)(=O)C1=CC=C(C(O)=O)C=C1

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.OCCOCCO.OCCOCCOCCO

Other Names for this Substance

Deleted or Replaced CAS Registry Numbers

89024-50-0, 144548-16-3