Cas no 103900-46-5 (Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1))

Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1) structure
103900-46-5 structure
Product Name:Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1)
CAS No:103900-46-5
MF:C18H33NaO7S
MW:416.505196332932
CID:196151
PubChem ID:23717266
Update Time:2025-04-19

Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1) Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid,2-sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (1:1)
    • sodium,1-dodecoxy-4-ethoxy-1,4-dioxobutane-2-sulfonate
    • AC1Q1VD0
    • ACMC-20d1z8
    • AG-J-98494
    • AR-1L4315
    • Butanedioicacid, sulfo-, 1-dodecyl 4-ethyl ester, sodium salt (9CI)
    • CTK4A2499
    • sodium 1-(dodecyloxy)-4-ethoxy-1,4-dioxobutane-2-sulfonate
    • Sodium 1-dodecoxycarbonyl-2-ethoxycarbonyl-ethanesulfonate
    • DTXSID50908663
    • Butanedioic acid, sulfo-, 1-dodecyl-4-ethyl ester, sodium salt
    • 103900-46-5
    • Inchi: 1S/C18H34O7S.Na/c1-3-5-6-7-8-9-10-11-12-13-14-25-18(20)16(26(21,22)23)15-17(19)24-4-2;/h16H,3-15H2,1-2H3,(H,21,22,23);/q;+1/p-1
    • InChI Key: LEFSVRAJVANTAL-UHFFFAOYSA-M
    • SMILES: S(C(CC(=O)OCC)C(=O)OCCCCCCCCCCCC)(=O)(=O)[O-].[Na+]

Computed Properties

  • Exact Mass: 416.18459
  • Monoisotopic Mass: 416.184
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 18
  • Complexity: 488
  • 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

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 109.8

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