(5-methyl-2-oxidanyl-heptyl) 4-methylbenzenesulfonate

Systemtic Name: (5-methyl-2-oxidanyl-heptyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-5-methyl-heptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-hydroxy-5-methylheptyl) ester IUPAC Name: (2-hydroxy-5-methylheptyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-hydroxy-5-methyl-heptyl) ester Formula: C15H24O4S MolecularWeight: 300.41366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H24O4S/c1-4-12(2)5-8-14(16)11-19-20(17,18)15-9-6-13(3)7-10-15/h6-7,9-10,12,14,16H,4-5,8,11H2,1-3H3