(E)-but-2-enedioic acid; 3-phenylsulfanylpiperidine

Systemtic Name: (E)-but-2-enedioic acid; 3-phenylsulfanylpiperidine Openeye Name: fumaric acid; 3-phenylsulfanylpiperidine CAS Name: (E)-2-butenedioic acid; 3-(phenylthio)piperidine IUPAC Name: (E)-but-2-enedioic acid; 3-phenylsulfanylpiperidine Traditional Name: fumaric acid; 3-(phenylthio)piperidine Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)SC2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CC(CNC1)SC2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H15NS.C4H4O4/c1-2-5-10(6-3-1)13-11-7-4-8-12-9-11;5-3(6)1-2-4(7)8/h1-3,5-6,11-12H,4,7-9H2;1-2H,(H,5,6)(H,7,8)/b;2-1+