3-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanyl-N,N-dimethyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanyl-N,N-dimethyl-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 3-[(4-butylsulfanylphenyl)-phenyl-methyl]sulfanyl-N,N-dimethyl-propan-1-amine; citric acid CAS Name: 3-[[[4-(butylthio)phenyl]-phenylmethyl]thio]-N,N-dimethyl-1-propanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-[(4-butylsulfanylphenyl)-phenylmethyl]sulfanyl-N,N-dimethylpropan-1-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 3-[[[4-(butylthio)phenyl]-phenyl-methyl]thio]propyl-dimethyl-amine; citric acid Formula: C28H39NO7S2 MolecularWeight: 565.74176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C(C2=CC=CC=C2)SCCCN(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H31NS2.C6H8O7/c1-4-5-17-24-21-14-12-20(13-15-21)22(19-10-7-6-8-11-19)25-18-9-16-23(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,10-15,22H,4-5,9,16-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)