2-[4-[2-(8,8-dimethyl-4-oxidanyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-(8,8-dimethyl-4-oxidanyl-5-oxidanylidene-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(8-hydroxy-4,4-dimethyl-1-oxo-tetralin-6-yl)ethynyl]phenyl]acetic acid CAS Name: 2-[4-[2-(4-hydroxy-8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-(4-hydroxy-8,8-dimethyl-5-oxo-6,7-dihydronaphthalen-2-yl)ethynyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(8-hydroxy-1-keto-4,4-dimethyl-tetralin-6-yl)ethynyl]phenyl]acetic acid Formula: C22H20O4 MolecularWeight: 348.3918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=O)C2=C1C=C(C=C2O)C#CC3=CC=C(C=C3)CC(=O)O)C

Isomeric SMILES

CC1(CCC(=O)C2=C1C=C(C=C2O)C#CC3=CC=C(C=C3)CC(=O)O)C

InChI

InChI=1S/C22H20O4/c1-22(2)10-9-18(23)21-17(22)11-16(12-19(21)24)8-5-14-3-6-15(7-4-14)13-20(25)26/h3-4,6-7,11-12,24H,9-10,13H2,1-2H3,(H,25,26)