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

Systemtic Name: (E)-but-2-enedioic acid; 4-(3-chlorophenyl)sulfanylpiperidine Openeye Name: 4-(3-chlorophenyl)sulfanylpiperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(3-chlorophenyl)thio]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-(3-chlorophenyl)sulfanylpiperidine Traditional Name: 4-[(3-chlorophenyl)thio]piperidine; fumaric acid Formula: C15H18ClNO4S MolecularWeight: 343.82572

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1SC2=CC(=CC=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CNCCC1SC2=CC(=CC=C2)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C11H14ClNS.C4H4O4/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10;5-3(6)1-2-4(7)8/h1-3,8,10,13H,4-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+