2-(3-butan-2-yl-2-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-(3-butan-2-yl-2-oxidanyl-phenyl)propanoic acid Openeye Name: 2-(2-hydroxy-3-sec-butyl-phenyl)propanoic acid CAS Name: 2-(3-butan-2-yl-2-hydroxyphenyl)propanoic acid IUPAC Name: 2-(3-butan-2-yl-2-hydroxyphenyl)propanoic acid Traditional Name: 2-(2-hydroxy-3-sec-butyl-phenyl)propionic acid Formula: C13H18O3 MolecularWeight: 222.28022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O3/c1-4-8(2)10-6-5-7-11(12(10)14)9(3)13(15)16/h5-9,14H,4H2,1-3H3,(H,15,16)