(E)-but-2-enedioic acid; 4-(phenylmethylsulfanyl)piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(phenylmethylsulfanyl)piperidine Openeye Name: 4-benzylsulfanylpiperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(phenylmethylthio)piperidine IUPAC Name: 4-benzylsulfanylpiperidine; (E)-but-2-enedioic acid Traditional Name: 4-(benzylthio)piperidine; fumaric acid Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1SCC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1SCC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H17NS.C4H4O4/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12;5-3(6)1-2-4(7)8/h1-5,12-13H,6-10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+