(Z)-but-2-enedioic acid; 3-[2-(dimethylaminomethyl)-5-fluoranyl-phenyl]sulfanylphenol

Systemtic Name: (Z)-but-2-enedioic acid; 3-[2-(dimethylaminomethyl)-5-fluoranyl-phenyl]sulfanylphenol Openeye Name: 3-[2-(dimethylaminomethyl)-5-fluoro-phenyl]sulfanylphenol; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-[[2-(dimethylaminomethyl)-5-fluorophenyl]thio]phenol IUPAC Name: (Z)-but-2-enedioic acid; 3-[2-(dimethylaminomethyl)-5-fluorophenyl]sulfanylphenol Traditional Name: 3-[[2-(dimethylaminomethyl)-5-fluoro-phenyl]thio]phenol; maleic acid Formula: C19H20FNO5S MolecularWeight: 393.429203

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C=C(C=C1)F)SC2=CC=CC(=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=C(C=C(C=C1)F)SC2=CC=CC(=C2)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C15H16FNOS.C4H4O4/c1-17(2)10-11-6-7-12(16)8-15(11)19-14-5-3-4-13(18)9-14;5-3(6)1-2-4(7)8/h3-9,18H,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-