(E)-but-2-enedioic acid; 2-phenylethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-phenylethanamine Openeye Name: fumaric acid; 2-phenylethanamine CAS Name: (E)-2-butenedioic acid; 2-phenylethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-phenylethanamine Traditional Name: fumaric acid; phenethylamine Formula: C12H15NO4 MolecularWeight: 237.2518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C8H11N.C4H4O4/c9-7-6-8-4-2-1-3-5-8;5-3(6)1-2-4(7)8/h1-5H,6-7,9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+