3-oxidanyloctan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 3-oxidanyloctan-2-yl 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-1-methyl-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-hydroxyoctan-2-yl ester IUPAC Name: 3-hydroxyoctan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-1-methyl-heptyl) ester Formula: C15H24O4S MolecularWeight: 300.41366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C)OS(=O)(=O)C1=CC=C(C=C1)C)O

Isomeric SMILES

CCCCCC(C(C)OS(=O)(=O)C1=CC=C(C=C1)C)O

InChI

InChI=1S/C15H24O4S/c1-4-5-6-7-15(16)13(3)19-20(17,18)14-10-8-12(2)9-11-14/h8-11,13,15-16H,4-7H2,1-3H3