3-[2-(aminomethyl)phenyl]sulfanylphenol; (E)-but-2-enedioic acid

Systemtic Name: 3-[2-(aminomethyl)phenyl]sulfanylphenol; (E)-but-2-enedioic acid Openeye Name: 3-[2-(aminomethyl)phenyl]sulfanylphenol; fumaric acid CAS Name: 3-[[2-(aminomethyl)phenyl]thio]phenol; (E)-2-butenedioic acid IUPAC Name: 3-[2-(aminomethyl)phenyl]sulfanylphenol; (E)-but-2-enedioic acid Traditional Name: 3-[[2-(aminomethyl)phenyl]thio]phenol; fumaric acid Formula: C17H17NO5S MolecularWeight: 347.38558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NOS.C4H4O4/c14-9-10-4-1-2-7-13(10)16-12-6-3-5-11(15)8-12;5-3(6)1-2-4(7)8/h1-8,15H,9,14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+