(E)-but-2-enedioic acid; 3-(4-phenylpiperazin-1-yl)propane-1,2-diol

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-phenylpiperazin-1-yl)propane-1,2-diol Openeye Name: fumaric acid; 3-(4-phenylpiperazin-1-yl)propane-1,2-diol CAS Name: (E)-2-butenedioic acid; 3-(4-phenyl-1-piperazinyl)propane-1,2-diol IUPAC Name: (E)-but-2-enedioic acid; 3-(4-phenylpiperazin-1-yl)propane-1,2-diol Traditional Name: fumaric acid; 3-(4-phenylpiperazino)propane-1,2-diol Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(CO)O)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC(CO)O)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H20N2O2.C4H4O4/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12;5-3(6)1-2-4(7)8/h1-5,13,16-17H,6-11H2;1-2H,(H,5,6)(H,7,8)/b;2-1+