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

Systemtic Name: (E)-but-2-enedioic acid; 4-[2-(dimethylaminomethyl)phenyl]sulfanylbenzene-1,2-diol Openeye Name: 4-[2-(dimethylaminomethyl)phenyl]sulfanylbenzene-1,2-diol; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[[2-(dimethylaminomethyl)phenyl]thio]benzene-1,2-diol IUPAC Name: (E)-but-2-enedioic acid; 4-[2-(dimethylaminomethyl)phenyl]sulfanylbenzene-1,2-diol Traditional Name: 4-[[2-(dimethylaminomethyl)phenyl]thio]pyrocatechol; fumaric acid Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1SC2=CC(=C(C=C2)O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=CC=C1SC2=CC(=C(C=C2)O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17NO2S.C4H4O4/c1-16(2)10-11-5-3-4-6-15(11)19-12-7-8-13(17)14(18)9-12;5-3(6)1-2-4(7)8/h3-9,17-18H,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+