Ranelic acid

CAS Registry Number®

135459-90-4
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CAS Name

Ranelic acid

Molecular Formula

C12H10N2O8S

Molecular Mass

342.28

Cite this Page

Ranelic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=135459-90-4 (retrieved 2024-03-28) (CAS RN: 135459-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H10N2O8S/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)

InChIKey

InChIKey=DJSXNILVACEBLP-UHFFFAOYSA-N

SMILES

N(CC(O)=O)(CC(O)=O)C1=C(C#N)C(CC(O)=O)=C(C(O)=O)S1

Canonical SMILES

N#CC1=C(SC(C(=O)O)=C1CC(=O)O)N(CC(=O)O)CC(=O)O

Other Names for this Substance

  • 3-Thiopheneacetic acid, 5-[bis(carboxymethyl)amino]-2-carboxy-4-cyano-
  • 5-[Bis(carboxymethyl)amino]-2-carboxy-4-cyano-3-thiopheneacetic acid
  • Ranelic acid

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