oxan-3-yl 4-butan-2-ylbenzenesulfonate

Systemtic Name: oxan-3-yl 4-butan-2-ylbenzenesulfonate Openeye Name: tetrahydropyran-3-yl 4-sec-butylbenzenesulfonate CAS Name: 4-butan-2-ylbenzenesulfonic acid 3-oxanyl ester IUPAC Name: oxan-3-yl 4-butan-2-ylbenzenesulfonate Traditional Name: 4-sec-butylbenzenesulfonic acid tetrahydropyran-3-yl ester Formula: C15H22O4S MolecularWeight: 298.39778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2CCCOC2

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)OC2CCCOC2

InChI

InChI=1S/C15H22O4S/c1-3-12(2)13-6-8-15(9-7-13)20(16,17)19-14-5-4-10-18-11-14/h6-9,12,14H,3-5,10-11H2,1-2H3