3-(3-tert-butyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)propanoic acid

Systemtic Name: 3-(3-tert-butyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)propanoic acid Openeye Name: 3-(3-tert-butyl-4-hydroxy-cyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: 3-(3-tert-butyl-4-hydroxy-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: 3-(3-tert-butyl-4-hydroxycyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: 3-(3-tert-butyl-4-hydroxy-cyclohexa-1,3-dien-1-yl)propionic acid Formula: C13H20O3 MolecularWeight: 224.2961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3/c1-13(2,3)10-8-9(4-6-11(10)14)5-7-12(15)16/h8,14H,4-7H2,1-3H3,(H,15,16)