4-[1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 4-[1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-yl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 4-[2-[4-(2-diethylaminoethyloxy)phenyl]-1-methyl-ethyl]phenol citrate CAS Name: 4-[1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-yl]phenol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 4-[1-[4-(2-diethylaminoethyloxy)phenyl]propan-2-yl]phenol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 4-[2-[4-(2-diethylaminoethyloxy)phenyl]-1-methyl-ethyl]phenol citrate Formula: C27H34NO9-3 MolecularWeight: 516.56016

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)CC(C)C2=CC=C(C=C2)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)CC(C)C2=CC=C(C=C2)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C21H29NO2.C6H8O7/c1-4-22(5-2)14-15-24-21-12-6-18(7-13-21)16-17(3)19-8-10-20(23)11-9-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-13,17,23H,4-5,14-16H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3