(Z)-but-2-enedioic acid; 1-[(2-phenylsulfanylphenyl)methyl]piperidine

Systemtic Name: (Z)-but-2-enedioic acid; 1-[(2-phenylsulfanylphenyl)methyl]piperidine Openeye Name: maleic acid; 1-[(2-phenylsulfanylphenyl)methyl]piperidine CAS Name: (Z)-2-butenedioic acid; 1-[[2-(phenylthio)phenyl]methyl]piperidine IUPAC Name: (Z)-but-2-enedioic acid; 1-[(2-phenylsulfanylphenyl)methyl]piperidine Traditional Name: maleic acid; 1-[2-(phenylthio)benzyl]piperidine Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2SC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H21NS.C4H4O4/c1-3-10-17(11-4-1)20-18-12-6-5-9-16(18)15-19-13-7-2-8-14-19;5-3(6)1-2-4(7)8/h1,3-6,9-12H,2,7-8,13-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1-