6-[2-(3-methoxy-3-oxidanylidene-propyl)-3-(6-methylsulfonyloxyhexyl)phenyl]hexanoic acid

Systemtic Name: 6-[2-(3-methoxy-3-oxidanylidene-propyl)-3-(6-methylsulfonyloxyhexyl)phenyl]hexanoic acid Openeye Name: 6-[2-(3-methoxy-3-oxo-propyl)-3-(6-methylsulfonyloxyhexyl)phenyl]hexanoic acid CAS Name: 6-[2-(3-methoxy-3-oxopropyl)-3-(6-methylsulfonyloxyhexyl)phenyl]hexanoic acid IUPAC Name: 6-[2-(3-methoxy-3-oxopropyl)-3-(6-methylsulfonyloxyhexyl)phenyl]hexanoic acid Traditional Name: 6-[2-(3-keto-3-methoxy-propyl)-3-(6-methylsulfonyloxyhexyl)phenyl]hexanoic acid Formula: C23H36O7S MolecularWeight: 456.59274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(C=CC=C1CCCCCCOS(=O)(=O)C)CCCCCC(=O)O

Isomeric SMILES

COC(=O)CCC1=C(C=CC=C1CCCCCCOS(=O)(=O)C)CCCCCC(=O)O

InChI

InChI=1S/C23H36O7S/c1-29-23(26)17-16-21-19(11-6-3-4-9-18-30-31(2,27)28)13-10-14-20(21)12-7-5-8-15-22(24)25/h10,13-14H,3-9,11-12,15-18H2,1-2H3,(H,24,25)