(3-butyl-2,6-dimethyl-phenyl) methanesulfonate

Systemtic Name: (3-butyl-2,6-dimethyl-phenyl) methanesulfonate Openeye Name: (3-butyl-2,6-dimethyl-phenyl) methanesulfonate CAS Name: methanesulfonic acid (3-butyl-2,6-dimethylphenyl) ester IUPAC Name: (3-butyl-2,6-dimethylphenyl) methanesulfonate Traditional Name: methanesulfonic acid (3-butyl-2,6-dimethyl-phenyl) ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)C)OS(=O)(=O)C)C

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)C)OS(=O)(=O)C)C

InChI

InChI=1S/C13H20O3S/c1-5-6-7-12-9-8-10(2)13(11(12)3)16-17(4,14)15/h8-9H,5-7H2,1-4H3