(Z)-but-2-enedioic acid; 1-[1-(4-methoxyphenyl)-2-phenylsulfanyl-ethyl]-4-methyl-piperazine

Systemtic Name: (Z)-but-2-enedioic acid; 1-[1-(4-methoxyphenyl)-2-phenylsulfanyl-ethyl]-4-methyl-piperazine Openeye Name: maleic acid; 1-[1-(4-methoxyphenyl)-2-phenylsulfanyl-ethyl]-4-methyl-piperazine CAS Name: (Z)-2-butenedioic acid; 1-[1-(4-methoxyphenyl)-2-(phenylthio)ethyl]-4-methylpiperazine IUPAC Name: (Z)-but-2-enedioic acid; 1-[1-(4-methoxyphenyl)-2-phenylsulfanylethyl]-4-methylpiperazine Traditional Name: maleic acid; 1-[1-(4-methoxyphenyl)-2-(phenylthio)ethyl]-4-methyl-piperazine Formula: C28H34N2O9S MolecularWeight: 574.64256

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CSC2=CC=CC=C2)C3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(C2=CC=C(C=C2)OC)CSC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C20H26N2OS.2C4H4O4/c1-21-12-14-22(15-13-21)20(16-24-19-6-4-3-5-7-19)17-8-10-18(23-2)11-9-17;2*5-3(6)1-2-4(7)8/h3-11,20H,12-16H2,1-2H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-