CAS Registry Number®
1246814-55-0
Molecular Formula
C16H13ClD3NO2S.H2O4SCite this Page
. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1246814-55-0 (retrieved ) (CAS RN: 1246814-55-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/i1+1D3;
InChIKey
InChIKey=FDEODCTUSIWGLK-SPZGMPHYSA-N
SMILES
C(C(O[13C]([2H])([2H])[2H])=O)(N1CC2=C(CC1)SC=C2)C3=C(Cl)C=CC=C3.S(=O)(=O)(O)O
Canonical SMILES
O=C(OC)C(C=1C=CC=CC1Cl)N2CC=3C=CSC3CC2.O=S(=O)(O)O
