2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenyl-butanoate; tris(hydroxymethyl)-methyl-azanium

Systemtic Name: 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenyl-butanoate; tris(hydroxymethyl)-methyl-azanium Openeye Name: 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenyl-butanoate; tris(hydroxymethyl)-methyl-ammonium CAS Name: 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoate; tris(hydroxymethyl)-methylammonium IUPAC Name: 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoate; tris(hydroxymethyl)-methylazanium Traditional Name: 2-[4-(4-chlorophenyl)benzyl]oxy-2-phenyl-butyrate; methyl(trimethylol)ammonium Formula: C27H32ClNO6 MolecularWeight: 501.99908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)[O-])OCC2=CC=C(C=C2)C3=CC=C(C=C3)Cl.C[N+](CO)(CO)CO

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)[O-])OCC2=CC=C(C=C2)C3=CC=C(C=C3)Cl.C[N+](CO)(CO)CO

InChI

InChI=1S/C23H21ClO3.C4H12NO3/c1-2-23(22(25)26,20-6-4-3-5-7-20)27-16-17-8-10-18(11-9-17)19-12-14-21(24)15-13-19;1-5(2-6,3-7)4-8/h3-15H,2,16H2,1H3,(H,25,26);6-8H,2-4H2,1H3/q;+1/p-1