3-azanyl-3-oxidanylidene-2-(4-sulfo-1,3-dithietan-2-ylidene)propanoic acid

Systemtic Name: 3-azanyl-3-oxidanylidene-2-(4-sulfo-1,3-dithietan-2-ylidene)propanoic acid Openeye Name: 3-amino-3-oxo-2-(4-sulfo-1,3-dithietan-2-ylidene)propanoic acid CAS Name: 3-amino-3-oxo-2-(4-sulfo-1,3-dithietan-2-ylidene)propanoic acid IUPAC Name: 3-amino-3-oxo-2-(4-sulfo-1,3-dithietan-2-ylidene)propanoic acid Traditional Name: 3-amino-3-keto-2-(4-sulfo-1,3-dithietan-2-ylidene)propionic acid Formula: C5H5NO6S3 MolecularWeight: 271.2913

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Descriptors Computed from Structure

Canonical SMILES:

C1(SC(=C(C(=O)N)C(=O)O)S1)S(=O)(=O)O

Isomeric SMILES

C1(SC(=C(C(=O)N)C(=O)O)S1)S(=O)(=O)O

InChI

InChI=1S/C5H5NO6S3/c6-2(7)1(3(8)9)4-13-5(14-4)15(10,11)12/h5H,(H2,6,7)(H,8,9)(H,10,11,12)