(E)-but-2-enedioic acid; 4-(dimethylaminomethyl)phenol

Systemtic Name: (E)-but-2-enedioic acid; 4-(dimethylaminomethyl)phenol Openeye Name: 4-(dimethylaminomethyl)phenol; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(dimethylaminomethyl)phenol IUPAC Name: (E)-but-2-enedioic acid; 4-(dimethylaminomethyl)phenol Traditional Name: 4-(dimethylaminomethyl)phenol; fumaric acid Formula: C13H17NO5 MolecularWeight: 267.27778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H13NO.C4H4O4/c1-10(2)7-8-3-5-9(11)6-4-8;5-3(6)1-2-4(7)8/h3-6,11H,7H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+