4-[2-(2-hydroxyethylamino)ethyl]-2-propyl-phenol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 4-[2-(2-hydroxyethylamino)ethyl]-2-propyl-phenol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 4-[2-(2-hydroxyethylamino)ethyl]-2-propyl-phenol citrate CAS Name: 4-[2-(2-hydroxyethylamino)ethyl]-2-propylphenol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 4-[2-(2-hydroxyethylamino)ethyl]-2-propylphenol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 4-[2-(2-hydroxyethylamino)ethyl]-2-propyl-phenol citrate Formula: C19H26NO9-3 MolecularWeight: 412.41104

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)CCNCCO)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CCCC1=C(C=CC(=C1)CCNCCO)O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C13H21NO2.C6H8O7/c1-2-3-12-10-11(4-5-13(12)16)6-7-14-8-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,10,14-16H,2-3,6-9H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3