NSC35782

Molecular Formula: C₃₁H₃₉NO₈S

InChI: InChI=1/C25H31NOS.C6H8O7/c1-4-26(5-2)16-17-27-23-14-12-22(13-15-23)24(25-7-6-18-28-25)19-21-10-8-20(3)9-11-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-15,18,24H,4-5,16-17,19H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/f/h;7,9,11H

InChIKey: InChIKey=BYYGRPGIFJNTAG-BGDPYBRRCM
SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)C)C3=CC=CS3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Names:
    NSC35782
    N,N-diethyl-2-[4-[2-(4-methylphenyl)-1-thiophen-2-yl-ethyl]phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid

Registries:
    PubChem CID 234930
    PubChem ID 92686