[5,6-bis(chloranyl)-6-methyl-2-oxidanylidene-heptyl] 4-methoxybenzenesulfonate

Systemtic Name: [5,6-bis(chloranyl)-6-methyl-2-oxidanylidene-heptyl] 4-methoxybenzenesulfonate Openeye Name: (5,6-dichloro-6-methyl-2-oxo-heptyl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic acid (5,6-dichloro-6-methyl-2-oxoheptyl) ester IUPAC Name: (5,6-dichloro-6-methyl-2-oxoheptyl) 4-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (5,6-dichloro-2-keto-6-methyl-heptyl) ester Formula: C15H20Cl2O5S MolecularWeight: 383.2873

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(CCC(=O)COS(=O)(=O)C1=CC=C(C=C1)OC)Cl)Cl

Isomeric SMILES

CC(C)(C(CCC(=O)COS(=O)(=O)C1=CC=C(C=C1)OC)Cl)Cl

InChI

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