(E)-but-2-enedioic acid; N'-oxidanyl-2-(2-phenylsulfanylphenyl)ethanimidamide

Systemtic Name: (E)-but-2-enedioic acid; N'-oxidanyl-2-(2-phenylsulfanylphenyl)ethanimidamide Openeye Name: fumaric acid; N'-hydroxy-2-(2-phenylsulfanylphenyl)acetamidine CAS Name: (E)-2-butenedioic acid; N'-hydroxy-2-[2-(phenylthio)phenyl]ethanimidamide IUPAC Name: (E)-but-2-enedioic acid; N'-hydroxy-2-(2-phenylsulfanylphenyl)ethanimidamide Traditional Name: fumaric acid; N'-hydroxy-2-[2-(phenylthio)phenyl]acetamidine Formula: C18H18N2O5S MolecularWeight: 374.41092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2CC(=NO)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2C/C(=N/O)/N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H14N2OS.C4H4O4/c15-14(16-17)10-11-6-4-5-9-13(11)18-12-7-2-1-3-8-12;5-3(6)1-2-4(7)8/h1-9,17H,10H2,(H2,15,16);1-2H,(H,5,6)(H,7,8)/b;2-1+