ethanedioic acid; 4H-1,4-thiazepin-5-one; hydrate

Systemtic Name: ethanedioic acid; 4H-1,4-thiazepin-5-one; hydrate Openeye Name: oxalic acid; 4H-1,4-thiazepin-5-one; hydrate CAS Name: oxalic acid; 4H-1,4-thiazepin-5-one; hydrate IUPAC Name: oxalic acid; 4H-1,4-thiazepin-5-one; hydrate Traditional Name: oxalic acid; 4H-1,4-thiazepin-5-one; hydrate Formula: C7H9NO6S MolecularWeight: 235.21446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C5H5NOS.C2H2O4.H2O/c7-5-1-3-8-4-2-6-5;3-1(4)2(5)6;/h1-4H,(H,6,7);(H,3,4)(H,5,6);1H2