5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexanethioic S-acid

Systemtic Name: 5-acetamido-2,3,4-tris(oxidanyl)-6-oxidanylidene-hexanethioic S-acid Openeye Name: 5-acetamido-2,3,4-trihydroxy-6-oxo-hexanethioic S-acid CAS Name: 5-acetamido-2,3,4-trihydroxy-6-oxohexanethioic S-acid IUPAC Name: 5-acetamido-2,3,4-trihydroxy-6-oxohexanethioic S-acid Traditional Name: 5-acetamido-2,3,4-trihydroxy-6-keto-hexanethioic S-acid Formula: C8H13NO6S MolecularWeight: 251.25692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(C=O)C(C(C(C(=O)S)O)O)O

Isomeric SMILES

CC(=O)NC(C=O)C(C(C(C(=O)S)O)O)O

InChI

InChI=1S/C8H13NO6S/c1-3(11)9-4(2-10)5(12)6(13)7(14)8(15)16/h2,4-7,12-14H,1H3,(H,9,11)(H,15,16)