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

Systemtic Name: (Z)-but-2-enedioic acid; 2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol Openeye Name: maleic acid; 2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol CAS Name: (Z)-2-butenedioic acid; 2-[[2-(methylaminomethyl)phenyl]thio]benzene-1,4-diol IUPAC Name: (Z)-but-2-enedioic acid; 2-[2-(methylaminomethyl)phenyl]sulfanylbenzene-1,4-diol Traditional Name: maleic acid; 2-[[2-(methylaminomethyl)phenyl]thio]hydroquinone Formula: C18H19NO6S MolecularWeight: 377.41156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO2S.C4H4O4/c1-15-9-10-4-2-3-5-13(10)18-14-8-11(16)6-7-12(14)17;5-3(6)1-2-4(7)8/h2-8,15-17H,9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-