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

Systemtic Name: 2-[[2-[1,3-bis(oxidanylidene)-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid Openeye Name: 2-[[2-(2-isopropoxy-1-isopropoxycarbonyl-2-oxo-ethylidene)-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid CAS Name: 2-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxy-oxomethyl]benzoic acid IUPAC Name: 2-[[2-[1,3-dioxo-1,3-di(propan-2-yloxy)propan-2-ylidene]-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid Traditional Name: 2-[[2-(2-isopropoxy-1-isopropoxycarbonyl-2-keto-ethylidene)-1,3-dithiolan-4-yl]oxycarbonyl]benzoic acid Formula: C20H22O8S2 MolecularWeight: 454.51388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=C1SCC(S1)OC(=O)C2=CC=CC=C2C(=O)O)C(=O)OC(C)C

Isomeric SMILES

CC(C)OC(=O)C(=C1SCC(S1)OC(=O)C2=CC=CC=C2C(=O)O)C(=O)OC(C)C

InChI

InChI=1S/C20H22O8S2/c1-10(2)26-18(24)15(19(25)27-11(3)4)20-29-9-14(30-20)28-17(23)13-8-6-5-7-12(13)16(21)22/h5-8,10-11,14H,9H2,1-4H3,(H,21,22)