[5,6-bis(chloranyl)-6-methyl-2-oxidanylidene-heptan-3-yl] 4-methoxybenzenesulfonate

Systemtic Name: [5,6-bis(chloranyl)-6-methyl-2-oxidanylidene-heptan-3-yl] 4-methoxybenzenesulfonate Openeye Name: (1-acetyl-3,4-dichloro-4-methyl-pentyl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (5,6-dichloro-6-methyl-2-oxoheptan-3-yl) ester IUPAC Name: (5,6-dichloro-6-methyl-2-oxoheptan-3-yl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (1-acetyl-3,4-dichloro-4-methyl-pentyl) ester Formula: C15H20Cl2O5S MolecularWeight: 383.2873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC(C(C)(C)Cl)Cl)OS(=O)(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CC(=O)C(CC(C(C)(C)Cl)Cl)OS(=O)(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C15H20Cl2O5S/c1-10(18)13(9-14(16)15(2,3)17)22-23(19,20)12-7-5-11(21-4)6-8-12/h5-8,13-14H,9H2,1-4H3