Ecabet sodium

CAS Registry Number®

86408-72-2
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CAS Name

Ecabet sodium

Molecular Formula

C20H28O5S.Na

Cite this Page

Ecabet sodium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=86408-72-2 (retrieved 2024-04-28) (CAS RN: 86408-72-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H28O5S.Na/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/t17-,19-,20-;/m1./s1

InChIKey

InChIKey=JNTMHWBQZJIWMT-YGJXXQMASA-N

SMILES

C[C@@]12C=3C(=CC(C(C)C)=C(S(=O)(=O)O)C3)CC[C@]1([C@@](C(O)=O)(C)CCC2)[H].[Na]

Canonical SMILES

[Na].O=C(O)C1(C)CCCC2(C=3C=C(C(=CC3CCC12)C(C)C)S(=O)(=O)O)C

Other Names for this Substance

  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, sodium salt (1:1), (1R,4aS,10aR)-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, monosodium salt, [1R-(1α,4aβ,10aα)]-
  • 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-6-sulfo-, monosodium salt, (1R,4aS,10aR)-
  • TA 2711
  • Ecabet sodium

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