(E)-but-2-enedioic acid; 4-[2-(methylaminomethyl)phenyl]sulfanylphenol

Systemtic Name: (E)-but-2-enedioic acid; 4-[2-(methylaminomethyl)phenyl]sulfanylphenol Openeye Name: fumaric acid; 4-[2-(methylaminomethyl)phenyl]sulfanylphenol CAS Name: (E)-2-butenedioic acid; 4-[[2-(methylaminomethyl)phenyl]thio]phenol IUPAC Name: (E)-but-2-enedioic acid; 4-[2-(methylaminomethyl)phenyl]sulfanylphenol Traditional Name: fumaric acid; 4-[[2-(methylaminomethyl)phenyl]thio]phenol Formula: C18H19NO5S MolecularWeight: 361.41216

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=CC=C1SC2=CC=C(C=C2)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCC1=CC=CC=C1SC2=CC=C(C=C2)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H15NOS.C4H4O4/c1-15-10-11-4-2-3-5-14(11)17-13-8-6-12(16)7-9-13;5-3(6)1-2-4(7)8/h2-9,15-16H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+