Cas no 27136-81-8 (Butanedioic acid, sulfo-, 1,4-diisooctyl ester, sodium salt)

Butanedioic acid, sulfo-, 1,4-diisooctyl ester, sodium salt structure
27136-81-8 structure
Product Name:Butanedioic acid, sulfo-, 1,4-diisooctyl ester, sodium salt
CAS No:27136-81-8
MF:C20H37NaO7S
MW:444.558357000351
CID:267391
Update Time:2023-03-30

Butanedioic acid, sulfo-, 1,4-diisooctyl ester, sodium salt Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,2-sulfo-, 1,4-diisooctyl ester, sodium salt (1:1)
    • SULFO-BUTANEDIOIC ACID 1,4-DIISOOCTYL ESTE SODIUM SALT
    • Butanedioicacid, sulfo-, 1,4-diisooctyl ester, sodium salt (9CI)
    • Diisooctyl (sodiosulfo)succinate
    • Diisooctyl sodium sulfosuccinate
    • Isooctyl alcohol, sulfosuccinate (2:1) sodium salt(8CI)
    • Merpasol DIO 60
    • Sodium diisooctyl sulfosuccinate
    • Succinic acid, sulfo-, diisooctylester, sodium salt (6CI)
    • Succinic acid, sulfo-,1,4-diisooctyl ester, sodium salt (7CI,8CI)
    • Sulfosuccinic aciddiisooctyl ester sodium salt
    • Texin DOS 75
    • Butanedioic acid, sulfo-, 1,4-diisooctyl ester, sodium salt
    • Butaedioic acid, sulfo-, 1,4-diisooctyl ester, sodium salt
    • Butaedioic acid,sulfo-,1,4-diisooctyl ester,sodium salt
    • Inchi: 1S/C20H38O7S.Na/c1-16(2)11-7-5-9-13-26-19(21)15-18(28(23,24)25)20(22)27-14-10-6-8-12-17(3)4;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+1/p-1
    • InChI Key: VHDOAHBIZRSCPJ-UHFFFAOYSA-M
    • SMILES: [Na+].C(OCCCCCC(C)C)(=O)C(S([O-])(=O)=O)CC(OCCCCCC(C)C)=O

Computed Properties

  • Exact Mass: 444.216
  • Monoisotopic Mass: 444.216
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 18
  • Complexity: 542
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 118A^2
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