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

Systemtic Name: (E)-but-2-enedioic acid; phenylmethanamine Openeye Name: fumaric acid; phenylmethanamine CAS Name: (E)-2-butenedioic acid; phenylmethanamine IUPAC Name: (E)-but-2-enedioic acid; phenylmethanamine Traditional Name: benzylamine; fumaric acid Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N.C4H4O4/c8-6-7-4-2-1-3-5-7;5-3(6)1-2-4(7)8/h1-5H,6,8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+