2-oxidanylpropane-1,2,3-tricarboxylate; [(E)-1-phenylbut-1-en-2-yl]benzene

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylate; [(E)-1-phenylbut-1-en-2-yl]benzene Openeye Name: [(1E)-1-benzylidenepropyl]benzene citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; [(E)-1-phenylbut-1-en-2-yl]benzene IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; [(E)-1-phenylbut-1-en-2-yl]benzene Traditional Name: [(E)-1-ethyl-2-phenyl-vinyl]benzene citrate Formula: C22H21O7-3 MolecularWeight: 397.39794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CC=C1)C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC/C(=C\C1=CC=CC=C1)/C2=CC=CC=C2.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C16H16.C6H8O7/c1-2-15(16-11-7-4-8-12-16)13-14-9-5-3-6-10-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-13H,2H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b15-13+;