NSC78102

Molecular Formula: C₃₁H₄₅NO₇S₃

InChI: InChI=1/C25H37NS3.C6H8O7/c1-5-7-18-27-23-13-9-21(10-14-23)25(29-20-17-26(3)4)22-11-15-24(16-12-22)28-19-8-6-2;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-16,25H,5-8,17-20H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/f/h;7,9,11H

InChIKey: InChIKey=NQRKFZUNJDJEIM-BGDPYBRRCH
SMILES: CCCCSC1=CC=C(C=C1)C(C2=CC=C(C=C2)SCCCC)SCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Names:
    NSC78102
    2-[bis(4-butylsulfanylphenyl)methylsulfanyl]-N,N-dimethyl-ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid

Registries:
    PubChem CID 254214
    PubChem ID 118665