(E)-but-2-enedioic acid; 4H-1,4-thiazepin-5-one

Systemtic Name: (E)-but-2-enedioic acid; 4H-1,4-thiazepin-5-one Openeye Name: fumaric acid; 4H-1,4-thiazepin-5-one CAS Name: (E)-2-butenedioic acid; 4H-1,4-thiazepin-5-one IUPAC Name: (E)-but-2-enedioic acid; 4H-1,4-thiazepin-5-one Traditional Name: fumaric acid; 4H-1,4-thiazepin-5-one Formula: C9H9NO5S MolecularWeight: 243.23646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=CNC1=O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1=CSC=CNC1=O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C5H5NOS.C4H4O4/c7-5-1-3-8-4-2-6-5;5-3(6)1-2-4(7)8/h1-4H,(H,6,7);1-2H,(H,5,6)(H,7,8)/b;2-1+