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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24O5S/c1-4-6-13(3)11-14(17)12-21-22(18,19)16-9-7-15(8-10-16)20-5-2/h7-10,13H,4-6,11-12H2,1-3H3