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

Systemtic Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)sulfinylpiperidine Openeye Name: 3-(4-chlorophenyl)sulfinylpiperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(4-chlorophenyl)sulfinylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 3-(4-chlorophenyl)sulfinylpiperidine Traditional Name: 3-(4-chlorophenyl)sulfinylpiperidine; fumaric acid Formula: C15H18ClNO5S MolecularWeight: 359.82512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)S(=O)C2=CC=C(C=C2)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H14ClNOS.C4H4O4/c12-9-3-5-10(6-4-9)15(14)11-2-1-7-13-8-11;5-3(6)1-2-4(7)8/h3-6,11,13H,1-2,7-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+