(3-methyl-2-oxidanylidene-octyl) 4-ethoxybenzenesulfonate

Systemtic Name: (3-methyl-2-oxidanylidene-octyl) 4-ethoxybenzenesulfonate Openeye Name: (3-methyl-2-oxo-octyl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (3-methyl-2-oxooctyl) ester IUPAC Name: (3-methyl-2-oxooctyl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (2-keto-3-methyl-octyl) ester Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)C(=O)COS(=O)(=O)C1=CC=C(C=C1)OCC

Isomeric SMILES

CCCCCC(C)C(=O)COS(=O)(=O)C1=CC=C(C=C1)OCC

InChI

InChI=1S/C17H26O5S/c1-4-6-7-8-14(3)17(18)13-22-23(19,20)16-11-9-15(10-12-16)21-5-2/h9-12,14H,4-8,13H2,1-3H3