3-[(E)-1,2-diphenylbut-1-enyl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 3-[(E)-1,2-diphenylbut-1-enyl]phenol; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 3-[(E)-1,2-diphenylbut-1-enyl]phenol citrate CAS Name: 3-[(E)-1,2-diphenylbut-1-enyl]phenol; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 3-[(E)-1,2-diphenylbut-1-enyl]phenol; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 3-[(E)-1,2-diphenylbut-1-enyl]phenol citrate Formula: C28H25O8-3 MolecularWeight: 489.4933

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC(=CC=C2)O)C3=CC=CC=C3.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)O)/C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C22H20O.C6H8O7/c1-2-21(17-10-5-3-6-11-17)22(18-12-7-4-8-13-18)19-14-9-15-20(23)16-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-16,23H,2H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b22-21+;