3-(5,5-ditert-butyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)propanoic acid

Systemtic Name: 3-(5,5-ditert-butyl-4-oxidanyl-cyclohexa-1,3-dien-1-yl)propanoic acid Openeye Name: 3-(5,5-ditert-butyl-4-hydroxy-cyclohexa-1,3-dien-1-yl)propanoic acid CAS Name: 3-(5,5-ditert-butyl-4-hydroxy-1-cyclohexa-1,3-dienyl)propanoic acid IUPAC Name: 3-(5,5-ditert-butyl-4-hydroxycyclohexa-1,3-dien-1-yl)propanoic acid Traditional Name: 3-(5,5-ditert-butyl-4-hydroxy-cyclohexa-1,3-dien-1-yl)propionic acid Formula: C17H28O3 MolecularWeight: 280.40242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28O3/c1-15(2,3)17(16(4,5)6)11-12(7-9-13(17)18)8-10-14(19)20/h7,9,18H,8,10-11H2,1-6H3,(H,19,20)