Sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxo-2-butanesulfonate - 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one (1:1:1)
[CAS# 89066-78-4]

Identification

• Name: Sodium 1,4-bis[(2-ethylhexyl)oxy]-1,4-dioxo-2-butanesulfonate - 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1(3H)-one (1:1:1)
• Synonyms: Butanedioic acid, sulfo-, 1,4-bis(2-ethylhexyl) ester, sodium salt, mixt. with 3,3-bis(4-hydroxyphenyl)-1(3H)-isobenzofuranone; Correctol laxative
• Molecular Formula: C₄₀H₅₁NaO₁₁S
• Molecular Weight: 762.88
• CAS Registry Number: 89066-78-4
• SMILES: [Na+].O=C(OCC(CC)CCCC)CC(C(=O)OCC(CC)CCCC)S([O-])(=O)=O.O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4
• InChI: 1S/C20H38O7S.C20H14O4.Na/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20;/h16-18H,5-15H2,1-4H3,(H,23,24,25);1-12,21-22H;/q;;+1/p-1
• InChIKey: KZQUNQQSAWZIRN-UHFFFAOYSA-M