3-iodanyl-4-[[4-[(4-methoxy-3,3-dimethyl-4-oxidanylidene-butyl)sulfinylmethyl]phenyl]methylsulfinyl]-2,2-dimethyl-butanoic acid

Systemtic Name: 3-iodanyl-4-[[4-[(4-methoxy-3,3-dimethyl-4-oxidanylidene-butyl)sulfinylmethyl]phenyl]methylsulfinyl]-2,2-dimethyl-butanoic acid Openeye Name: 3-iodo-4-[[4-[(4-methoxy-3,3-dimethyl-4-oxo-butyl)sulfinylmethyl]phenyl]methylsulfinyl]-2,2-dimethyl-butanoic acid CAS Name: 3-iodo-4-[[4-[(4-methoxy-3,3-dimethyl-4-oxobutyl)sulfinylmethyl]phenyl]methylsulfinyl]-2,2-dimethylbutanoic acid IUPAC Name: 3-iodo-4-[[4-[(4-methoxy-3,3-dimethyl-4-oxobutyl)sulfinylmethyl]phenyl]methylsulfinyl]-2,2-dimethylbutanoic acid Traditional Name: 3-iodo-4-[4-[(4-keto-4-methoxy-3,3-dimethyl-butyl)sulfinylmethyl]benzyl]sulfinyl-2,2-dimethyl-butyric acid Formula: C21H31IO6S2 MolecularWeight: 570.50171

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCS(=O)CC1=CC=C(C=C1)CS(=O)CC(C(C)(C)C(=O)O)I)C(=O)OC

Isomeric SMILES

CC(C)(CCS(=O)CC1=CC=C(C=C1)CS(=O)CC(C(C)(C)C(=O)O)I)C(=O)OC

InChI

InChI=1S/C21H31IO6S2/c1-20(2,19(25)28-5)10-11-29(26)12-15-6-8-16(9-7-15)13-30(27)14-17(22)21(3,4)18(23)24/h6-9,17H,10-14H2,1-5H3,(H,23,24)