4-tert-butyl-2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enyl]benzoic acid

Systemtic Name: 4-tert-butyl-2-[(E)-4-oxidanyl-4-oxidanylidene-but-2-enyl]benzoic acid Openeye Name: 4-tert-butyl-2-[(E)-4-hydroxy-4-oxo-but-2-enyl]benzoic acid CAS Name: 4-tert-butyl-2-[(E)-4-hydroxy-4-oxobut-2-enyl]benzoic acid IUPAC Name: 4-tert-butyl-2-[(E)-4-hydroxy-4-oxobut-2-enyl]benzoic acid Traditional Name: 4-tert-butyl-2-[(E)-4-hydroxy-4-keto-but-2-enyl]benzoic acid Formula: C15H18O4 MolecularWeight: 262.30102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)C(=O)O)C/C=C/C(=O)O

InChI

InChI=1S/C15H18O4/c1-15(2,3)11-7-8-12(14(18)19)10(9-11)5-4-6-13(16)17/h4,6-9H,5H2,1-3H3,(H,16,17)(H,18,19)/b6-4+