(E)-but-2-enedioate; ethanethioate

Systemtic Name: (E)-but-2-enedioate; ethanethioate Openeye Name: (E)-but-2-enedioate; ethanethioate CAS Name: (E)-2-butenedioate; ethanethioate IUPAC Name: (E)-but-2-enedioate; ethanethioate Traditional Name: thioacetate fumarate Formula: C6H5O5S-3 MolecularWeight: 189.1659

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CC(=S)[O-].C(=C/C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C4H4O4.C2H4OS/c5-3(6)1-2-4(7)8;1-2(3)4/h1-2H,(H,5,6)(H,7,8);1H3,(H,3,4)/p-3/b2-1+;