2-[2-(aminomethyl)phenyl]sulfanylbenzene-1,4-diol; (E)-but-2-enedioic acid

Systemtic Name: 2-[2-(aminomethyl)phenyl]sulfanylbenzene-1,4-diol; (E)-but-2-enedioic acid Openeye Name: 2-[2-(aminomethyl)phenyl]sulfanylbenzene-1,4-diol; fumaric acid CAS Name: 2-[[2-(aminomethyl)phenyl]thio]benzene-1,4-diol; (E)-2-butenedioic acid IUPAC Name: 2-[2-(aminomethyl)phenyl]sulfanylbenzene-1,4-diol; (E)-but-2-enedioic acid Traditional Name: 2-[[2-(aminomethyl)phenyl]thio]hydroquinone; fumaric acid Formula: C17H17NO6S MolecularWeight: 363.38498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO2S.C4H4O4/c14-8-9-3-1-2-4-12(9)17-13-7-10(15)5-6-11(13)16;5-3(6)1-2-4(7)8/h1-7,15-16H,8,14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+