(E)-but-2-enedioic acid; 2-chloranyl-N-(2-chloroethyl)ethanamine

Systemtic Name: (E)-but-2-enedioic acid; 2-chloranyl-N-(2-chloroethyl)ethanamine Openeye Name: 2-chloro-N-(2-chloroethyl)ethanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-chloro-N-(2-chloroethyl)ethanamine IUPAC Name: (E)-but-2-enedioic acid; 2-chloro-N-(2-chloroethyl)ethanamine Traditional Name: bis(2-chloroethyl)amine; fumaric acid Formula: C8H13Cl2NO4 MolecularWeight: 258.09912

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Descriptors Computed from Structure

Canonical SMILES:

C(CCl)NCCCl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C(CCl)NCCCl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C4H9Cl2N.C4H4O4/c5-1-3-7-4-2-6;5-3(6)1-2-4(7)8/h7H,1-4H2;1-2H,(H,5,6)(H,7,8)/b;2-1+