(E)-but-2-enedioic acid; 1-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-4-methyl-piperazine

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-4-methyl-piperazine Openeye Name: 1-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-4-methyl-piperazine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[2-[2-[(4-chlorophenyl)thio]phenyl]ethyl]-4-methylpiperazine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-[2-(4-chlorophenyl)sulfanylphenyl]ethyl]-4-methylpiperazine Traditional Name: 1-[2-[2-[(4-chlorophenyl)thio]phenyl]ethyl]-4-methyl-piperazine; fumaric acid Formula: C27H31ClN2O8S MolecularWeight: 579.06164

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCC2=CC=CC=C2SC3=CC=C(C=C3)Cl.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCC2=CC=CC=C2SC3=CC=C(C=C3)Cl.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H23ClN2S.2C4H4O4/c1-21-12-14-22(15-13-21)11-10-16-4-2-3-5-19(16)23-18-8-6-17(20)7-9-18;2*5-3(6)1-2-4(7)8/h2-9H,10-15H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+