CAS Registry Number®
1276197-23-9
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Molecular Formula
C17H13ClD6N2S.C2H2O4Cite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=1276197-23-9 (retrieved ) (CAS RN: 1276197-23-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C17H19ClN2S.C2H2O4/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;3-1(4)2(5)6/h3-4,6-9,12H,5,10-11H2,1-2H3;(H,3,4)(H,5,6)/i1D3,2D3;
InChIKey
InChIKey=FZNQRUYAXGKACN-TXHXQZCNSA-N
SMILES
C(CCN(C([2H])([2H])[2H])C([2H])([2H])[2H])N1C=2C(SC=3C1=CC=CC3)=CC=C(Cl)C2.C(C(O)=O)(O)=O
Canonical SMILES
O=C(O)C(=O)O.ClC1=CC=C2SC=3C=CC=CC3N(C2=C1)CCCN(C)C
