(E)-but-2-enedioic acid; 3-(4-chlorophenyl)sulfanylpyrrolidine

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)sulfanylpyrrolidine Openeye Name: 3-(4-chlorophenyl)sulfanylpyrrolidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[(4-chlorophenyl)thio]pyrrolidine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)sulfanylpyrrolidine Traditional Name: 3-[(4-chlorophenyl)thio]pyrrolidine; fumaric acid Formula: C14H16ClNO4S MolecularWeight: 329.79914

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1SC2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCC1SC2=CC=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C10H12ClNS.C4H4O4/c11-8-1-3-9(4-2-8)13-10-5-6-12-7-10;5-3(6)1-2-4(7)8/h1-4,10,12H,5-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+