2-oxidanylidenepentyl 4-butoxybenzenesulfonate

Systemtic Name: 2-oxidanylidenepentyl 4-butoxybenzenesulfonate Openeye Name: 2-oxopentyl 4-butoxybenzenesulfonate CAS Name: 4-butoxybenzenesulfonic acid 2-oxopentyl ester IUPAC Name: 2-oxopentyl 4-butoxybenzenesulfonate Traditional Name: 4-butoxybenzenesulfonic acid 2-ketopentyl ester Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22O5S/c1-3-5-11-19-14-7-9-15(10-8-14)21(17,18)20-12-13(16)6-4-2/h7-10H,3-6,11-12H2,1-2H3