3-tert-butyl-6-methyl-5-oxidanylidene-heptanoic acid

Systemtic Name: 3-tert-butyl-6-methyl-5-oxidanylidene-heptanoic acid Openeye Name: 3-tert-butyl-6-methyl-5-oxo-heptanoic acid CAS Name: 3-tert-butyl-6-methyl-5-oxoheptanoic acid IUPAC Name: 3-tert-butyl-6-methyl-5-oxoheptanoic acid Traditional Name: 3-tert-butyl-5-keto-6-methyl-enanthic acid Formula: C12H22O3 MolecularWeight: 214.30128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)CC(CC(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)C(=O)CC(CC(=O)O)C(C)(C)C

InChI

InChI=1S/C12H22O3/c1-8(2)10(13)6-9(7-11(14)15)12(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,15)