2,5-dimethylheptanoic acid; 1,3,4-oxathiazinan-2-one

Systemtic Name: 2,5-dimethylheptanoic acid; 1,3,4-oxathiazinan-2-one Openeye Name: 2,5-dimethylheptanoic acid; 1,3,4-oxathiazinan-2-one CAS Name: 2,5-dimethylheptanoic acid; 1,3,4-oxathiazinan-2-one IUPAC Name: 2,5-dimethylheptanoic acid; 1,3,4-oxathiazinan-2-one Traditional Name: 2,5-dimethylenanthic acid; 1,3,4-oxathiazinan-2-one Formula: C12H23NO4S MolecularWeight: 277.38032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC(C)C(=O)O.C1COC(=O)SN1

Isomeric SMILES

CCC(C)CCC(C)C(=O)O.C1COC(=O)SN1

InChI

InChI=1S/C9H18O2.C3H5NO2S/c1-4-7(2)5-6-8(3)9(10)11;5-3-6-2-1-4-7-3/h7-8H,4-6H2,1-3H3,(H,10,11);4H,1-2H2