2-tert-butylphenol; 4,4-dimethylpentanoic acid

Systemtic Name: 2-tert-butylphenol; 4,4-dimethylpentanoic acid Openeye Name: 2-tert-butylphenol; 4,4-dimethylpentanoic acid CAS Name: 2-tert-butylphenol; 4,4-dimethylpentanoic acid IUPAC Name: 2-tert-butylphenol; 4,4-dimethylpentanoic acid Traditional Name: 2-tert-butylphenol; 4,4-dimethylvaleric acid Formula: C17H28O3 MolecularWeight: 280.40242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCC(=O)O.CC(C)(C)C1=CC=CC=C1O

Isomeric SMILES

CC(C)(C)CCC(=O)O.CC(C)(C)C1=CC=CC=C1O

InChI

InChI=1S/C10H14O.C7H14O2/c1-10(2,3)8-6-4-5-7-9(8)11;1-7(2,3)5-4-6(8)9/h4-7,11H,1-3H3;4-5H2,1-3H3,(H,8,9)