Molecular Weight (g/mol)

598.1

Molecular Formula

C32H36ClNO8

InChI

InChI=1S/C26H28ClNO.C6H8O7/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-18H,3-4,19-20H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

PYTMYKVIJXPNBD-UHFFFAOYSA-N

SMILES

CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

IUPAC Name

2-[4-(2-chloro-1,2-diphenylethenyl)phenoxy]-N,N-diethylethanamine;2-hydroxypropane-1,2,3-tricarboxylic acid

Exact Mass (Da)

597.2129448

Monoisotopic Mass (Da)

597.2129448