2-[4-[1-[2-[2,5-bis(chloranyl)phenyl]sulfanyl-5-chloranyl-phenyl]ethyl]piperazin-1-yl]ethanol; (Z)-but-2-enedioic acid

Systemtic Name: 2-[4-[1-[2-[2,5-bis(chloranyl)phenyl]sulfanyl-5-chloranyl-phenyl]ethyl]piperazin-1-yl]ethanol; (Z)-but-2-enedioic acid Openeye Name: 2-[4-[1-[5-chloro-2-(2,5-dichlorophenyl)sulfanyl-phenyl]ethyl]piperazin-1-yl]ethanol; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-[4-[1-[5-chloro-2-[(2,5-dichlorophenyl)thio]phenyl]ethyl]-1-piperazinyl]ethanol IUPAC Name: (Z)-but-2-enedioic acid; 2-[4-[1-[5-chloro-2-(2,5-dichlorophenyl)sulfanylphenyl]ethyl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[1-[5-chloro-2-[(2,5-dichlorophenyl)thio]phenyl]ethyl]piperazino]ethanol; maleic acid Formula: C28H31Cl3N2O9S MolecularWeight: 677.97774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)SC2=C(C=CC(=C2)Cl)Cl)N3CCN(CC3)CCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(N1CCN(CC1)CCO)C2=C(C=CC(=C2)Cl)SC3=C(C=CC(=C3)Cl)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H23Cl3N2OS.2C4H4O4/c1-14(25-8-6-24(7-9-25)10-11-26)17-12-15(21)3-5-19(17)27-20-13-16(22)2-4-18(20)23;2*5-3(6)1-2-4(7)8/h2-5,12-14,26H,6-11H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-