2-(furan-2-ylmethylsulfonyl)-4,4-dimethyl-pentanoic acid

Systemtic Name: 2-(furan-2-ylmethylsulfonyl)-4,4-dimethyl-pentanoic acid Openeye Name: 2-(2-furylmethylsulfonyl)-4,4-dimethyl-pentanoic acid CAS Name: 2-(2-furanylmethylsulfonyl)-4,4-dimethylpentanoic acid IUPAC Name: 2-(furan-2-ylmethylsulfonyl)-4,4-dimethylpentanoic acid Traditional Name: 2-(2-furfurylsulfonyl)-4,4-dimethyl-valeric acid Formula: C12H18O5S MolecularWeight: 274.33332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)O)S(=O)(=O)CC1=CC=CO1

Isomeric SMILES

CC(C)(C)CC(C(=O)O)S(=O)(=O)CC1=CC=CO1

InChI

InChI=1S/C12H18O5S/c1-12(2,3)7-10(11(13)14)18(15,16)8-9-5-4-6-17-9/h4-6,10H,7-8H2,1-3H3,(H,13,14)