6-(3-methyl-1-oxidanyl-butan-2-yl)oxy-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-(3-methyl-1-oxidanyl-butan-2-yl)oxy-6-oxidanylidene-hexanoic acid Openeye Name: 6-[1-(hydroxymethyl)-2-methyl-propoxy]-6-oxo-hexanoic acid CAS Name: 6-(1-hydroxy-3-methylbutan-2-yl)oxy-6-oxohexanoic acid IUPAC Name: 6-(1-hydroxy-3-methylbutan-2-yl)oxy-6-oxohexanoic acid Traditional Name: 6-keto-6-(2-methyl-1-methylol-propoxy)hexanoic acid Formula: C11H20O5 MolecularWeight: 232.2735

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)OC(=O)CCCCC(=O)O

Isomeric SMILES

CC(C)C(CO)OC(=O)CCCCC(=O)O

InChI

InChI=1S/C11H20O5/c1-8(2)9(7-12)16-11(15)6-4-3-5-10(13)14/h8-9,12H,3-7H2,1-2H3,(H,13,14)