(E)-3-[5-chloranyl-2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-but-3-en-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (E)-3-[5-chloranyl-2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-but-3-en-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: (E)-3-[5-chloro-2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-but-3-en-2-one; citric acid CAS Name: (E)-3-[5-chloro-2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-3-buten-2-one; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: (E)-3-[5-chloro-2-(2-diethylaminoethyloxy)phenoxy]-4-phenylbut-3-en-2-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: (E)-3-[5-chloro-2-(2-diethylaminoethyloxy)phenoxy]-4-phenyl-but-3-en-2-one; citric acid Formula: C28H34ClNO10 MolecularWeight: 580.02326

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=C(C=C(C=C1)Cl)OC(=CC2=CC=CC=C2)C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC1=C(C=C(C=C1)Cl)O/C(=C/C2=CC=CC=C2)/C(=O)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H26ClNO3.C6H8O7/c1-4-24(5-2)13-14-26-20-12-11-19(23)16-22(20)27-21(17(3)25)15-18-9-7-6-8-10-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-12,15-16H,4-5,13-14H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b21-15+;