N,N-diethyl-2-[1-ethylsulfanyl-3-(2-methylphenoxy)propan-2-yl]oxy-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N,N-diethyl-2-[1-ethylsulfanyl-3-(2-methylphenoxy)propan-2-yl]oxy-ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N,N-diethyl-2-[1-(ethylsulfanylmethyl)-2-(2-methylphenoxy)ethoxy]ethanamine CAS Name: N,N-diethyl-2-[1-(ethylthio)-3-(2-methylphenoxy)propan-2-yl]oxyethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: N,N-diethyl-2-[1-ethylsulfanyl-3-(2-methylphenoxy)propan-2-yl]oxyethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; diethyl-[2-[1-[(ethylthio)methyl]-2-(2-methylphenoxy)ethoxy]ethyl]amine Formula: C24H39NO9S MolecularWeight: 517.63276

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(COC1=CC=CC=C1C)CSCC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(COC1=CC=CC=C1C)CSCC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H31NO2S.C6H8O7/c1-5-19(6-2)12-13-20-17(15-22-7-3)14-21-18-11-9-8-10-16(18)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-11,17H,5-7,12-15H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)