[2-(2-dimethylaminoethylsulfanyl)-1-phenyl-ethyl] benzoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: [2-(2-dimethylaminoethylsulfanyl)-1-phenyl-ethyl] benzoate; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; [2-(2-dimethylaminoethylsulfanyl)-1-phenyl-ethyl] benzoate CAS Name: benzoic acid [2-(2-dimethylaminoethylthio)-1-phenylethyl] ester; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: [2-(2-dimethylaminoethylsulfanyl)-1-phenylethyl] benzoate; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: benzoic acid [2-(2-dimethylaminoethylthio)-1-phenyl-ethyl] ester; citric acid Formula: C25H31NO9S MolecularWeight: 521.57994

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCSCC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)CCSCC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H23NO2S.C6H8O7/c1-20(2)13-14-23-15-18(16-9-5-3-6-10-16)22-19(21)17-11-7-4-8-12-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,18H,13-15H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)