2-oxidanylpentyl 4-methylbenzenesulfonate

Systemtic Name: 2-oxidanylpentyl 4-methylbenzenesulfonate Openeye Name: 2-hydroxypentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-hydroxypentyl ester IUPAC Name: 2-hydroxypentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-hydroxypentyl ester Formula: C12H18O4S MolecularWeight: 258.33392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O4S/c1-3-4-11(13)9-16-17(14,15)12-7-5-10(2)6-8-12/h5-8,11,13H,3-4,9H2,1-2H3