5-methyl-2-sulfonyl-hexanoic acid

Systemtic Name: 5-methyl-2-sulfonyl-hexanoic acid Openeye Name: 5-methyl-2-sulfonyl-hexanoic acid CAS Name: 5-methyl-2-sulfonylhexanoic acid IUPAC Name: 5-methyl-2-sulfonylhexanoic acid Traditional Name: 5-methyl-2-sulfonyl-hexanoic acid Formula: C7H12O4S MolecularWeight: 192.23278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=S(=O)=O)C(=O)O

Isomeric SMILES

CC(C)CCC(=S(=O)=O)C(=O)O

InChI

InChI=1S/C7H12O4S/c1-5(2)3-4-6(7(8)9)12(10)11/h5H,3-4H2,1-2H3,(H,8,9)