4-butyl-3-(oxan-2-yloxy)benzenesulfonic acid

Systemtic Name: 4-butyl-3-(oxan-2-yloxy)benzenesulfonic acid Openeye Name: 4-butyl-3-tetrahydropyran-2-yloxy-benzenesulfonic acid CAS Name: 4-butyl-3-(2-oxanyloxy)benzenesulfonic acid IUPAC Name: 4-butyl-3-(oxan-2-yloxy)benzenesulfonic acid Traditional Name: 4-butyl-3-tetrahydropyran-2-yloxy-besylic acid Formula: C15H22O5S MolecularWeight: 314.39718

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)S(=O)(=O)O)OC2CCCCO2

Isomeric SMILES

CCCCC1=C(C=C(C=C1)S(=O)(=O)O)OC2CCCCO2

InChI

InChI=1S/C15H22O5S/c1-2-3-6-12-8-9-13(21(16,17)18)11-14(12)20-15-7-4-5-10-19-15/h8-9,11,15H,2-7,10H2,1H3,(H,16,17,18)