(E)-but-2-enedioic acid; 1-methylpiperidine-3-thiol

Systemtic Name: (E)-but-2-enedioic acid; 1-methylpiperidine-3-thiol Openeye Name: fumaric acid; 1-methylpiperidine-3-thiol CAS Name: (E)-2-butenedioic acid; 1-methyl-3-piperidinethiol IUPAC Name: (E)-but-2-enedioic acid; 1-methylpiperidine-3-thiol Traditional Name: fumaric acid; 1-methylpiperidine-3-thiol Formula: C10H17NO4S MolecularWeight: 247.31128

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)S.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCCC(C1)S.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C6H13NS.C4H4O4/c1-7-4-2-3-6(8)5-7;5-3(6)1-2-4(7)8/h6,8H,2-5H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+