(5-methyl-2-oxidanylidene-heptyl) 4-ethoxybenzenesulfonate

Systemtic Name: (5-methyl-2-oxidanylidene-heptyl) 4-ethoxybenzenesulfonate Openeye Name: (5-methyl-2-oxo-heptyl) 4-ethoxybenzenesulfonate CAS Name: 4-ethoxybenzenesulfonic acid (5-methyl-2-oxoheptyl) ester IUPAC Name: (5-methyl-2-oxoheptyl) 4-ethoxybenzenesulfonate Traditional Name: 4-ethoxybenzenesulfonic acid (2-keto-5-methyl-heptyl) ester Formula: C16H24O5S MolecularWeight: 328.42376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S/c1-4-13(3)6-7-14(17)12-21-22(18,19)16-10-8-15(9-11-16)20-5-2/h8-11,13H,4-7,12H2,1-3H3