(E)-but-2-enedioic acid; 4H-thiochromen-3-amine

Systemtic Name: (E)-but-2-enedioic acid; 4H-thiochromen-3-amine Openeye Name: fumaric acid; 4H-thiochromen-3-amine CAS Name: 4H-1-benzothiopyran-3-amine; (E)-2-butenedioic acid IUPAC Name: (E)-but-2-enedioic acid; 4H-thiochromen-3-amine Traditional Name: fumaric acid; 4H-thiochromen-3-ylamine Formula: C13H13NO4S MolecularWeight: 279.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC=C1N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1C2=CC=CC=C2SC=C1N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H9NS.C4H4O4/c10-8-5-7-3-1-2-4-9(7)11-6-8;5-3(6)1-2-4(7)8/h1-4,6H,5,10H2;1-2H,(H,5,6)(H,7,8)/b;2-1+