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

Systemtic Name: 2-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanyl-N,N-diethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanyl-N,N-diethyl-ethanamine; citric acid CAS Name: 2-[[[4-(butylthio)phenyl]-phenylmethyl]thio]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-[[[4-(butylthio)phenyl]-phenyl-methyl]thio]ethyl-diethyl-amine; citric acid Formula: C29H41NO7S2 MolecularWeight: 579.76834

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Descriptors Computed from Structure

Canonical 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

Isomeric 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

InChI

InChI=1S/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)