AC1MIK0J

2-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid

Also Known As: Diisopropyl 4-hydroxy-1,3-dithiolan-2-ylidenemalonate phthalic acid semi-ester|1,2-Benzenedicarboxylic acid, mono(2-(2-(1-methylethoxy)-1-((1-methylethoxy)carbonyl)-2-oxoethylidene)-1,3-dithiolan-4-yl) ester|2-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid|2-{[(2-{1,3-Dioxo-1,3-bis[(propan-2-yl)oxy]propan-2-ylidene}-1,3-dithiolan-4-yl)oxy]carbonyl}benzoic acid

Molecular Formula	C20H22O8S2
Molecular Weight	454.07562 g/mol
LogP	3.4625
Topological Polar Surface Area	116.2 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	454.07562
Monoisotopic Mass	454.07562
Heavy Atoms	30
Complexity	851.3124

Chemical Identifiers

CAS Number	62052-64-6
SMILES	CC(C)OC(=O)C(=C1SCC(S1)OC(=O)C2=CC=CC=C2C(=O)O)C(=O)OC(C)C