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

Systemtic Name: 2-[(3-bromophenyl)-(4-butylsulfanylphenyl)methyl]sulfanyl-N,N-diethyl-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-[(3-bromophenyl)-(4-butylsulfanylphenyl)methyl]sulfanyl-N,N-diethyl-ethanamine; citric acid CAS Name: 2-[[(3-bromophenyl)-[4-(butylthio)phenyl]methyl]thio]-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-[(3-bromophenyl)-(4-butylsulfanylphenyl)methyl]sulfanyl-N,N-diethylethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-[[(3-bromophenyl)-[4-(butylthio)phenyl]methyl]thio]ethyl-diethyl-amine; citric acid Formula: C29H40BrNO7S2 MolecularWeight: 658.6644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C(C2=CC(=CC=C2)Br)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)Br)SCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C23H32BrNS2.C6H8O7/c1-4-7-16-26-22-13-11-19(12-14-22)23(20-9-8-10-21(24)18-20)27-17-15-25(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-14,18,23H,4-7,15-17H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)