(5-methyl-2-oxidanylidene-hexyl) 4-butoxybenzenesulfonate

Systemtic Name: (5-methyl-2-oxidanylidene-hexyl) 4-butoxybenzenesulfonate Openeye Name: (5-methyl-2-oxo-hexyl) 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid (5-methyl-2-oxohexyl) ester IUPAC Name: (5-methyl-2-oxohexyl) 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid (2-keto-5-methyl-hexyl) ester Formula: C17H26O5S MolecularWeight: 342.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CCC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)OCC(=O)CCC(C)C

InChI

InChI=1S/C17H26O5S/c1-4-5-12-21-16-8-10-17(11-9-16)23(19,20)22-13-15(18)7-6-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3