2-[bis(4-butylsulfanylphenyl)methylsulfanyl]-N,N-dimethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[bis(4-butylsulfanylphenyl)methylsulfanyl]-N,N-dimethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-[bis(4-butylsulfanylphenyl)methylsulfanyl]-N,N-dimethyl-ethanamine; citric acid CAS Name: 2-[bis[4-(butylthio)phenyl]methylthio]-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-[bis(4-butylsulfanylphenyl)methylsulfanyl]-N,N-dimethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-[bis[4-(butylthio)phenyl]methylthio]ethyl-dimethyl-amine; citric acid Formula: C31H45NO7S3 MolecularWeight: 639.8865

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Descriptors Computed from Structure

Canonical 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

Isomeric 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

InChI

InChI=1S/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)