NSC78094

Molecular Formula: C29H41NO7S2


InChI: InChI=1/C23H33NS2.C6H8O7/c1-4-7-18-25-22-15-13-21(14-16-22)23(20-11-9-8-10-12-20)26-19-17-24(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-16,23H,4-7,17-19H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/f/h;7,9,11H

InChIKey: InChIKey=RPVCBWDCMUZZIQ-BGDPYBRRCA
SMILES: CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Names:
    NSC78094
    2-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanyl-N,N-diethyl-ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid

Registries:
    PubChem CID 254208
    PubChem ID 118662