(E)-but-2-enedioic acid; 2-[(4-chlorophenyl)sulfanylmethyl]piperidine

Systemtic Name: (E)-but-2-enedioic acid; 2-[(4-chlorophenyl)sulfanylmethyl]piperidine Openeye Name: 2-[(4-chlorophenyl)sulfanylmethyl]piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[[(4-chlorophenyl)thio]methyl]piperidine IUPAC Name: (E)-but-2-enedioic acid; 2-[(4-chlorophenyl)sulfanylmethyl]piperidine Traditional Name: 2-[[(4-chlorophenyl)thio]methyl]piperidine; fumaric acid Formula: C16H20ClNO4S MolecularWeight: 357.8523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)CSC2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCNC(C1)CSC2=CC=C(C=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H16ClNS.C4H4O4/c13-10-4-6-12(7-5-10)15-9-11-3-1-2-8-14-11;5-3(6)1-2-4(7)8/h4-7,11,14H,1-3,8-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+