pentan-2-yl 4-methylbenzenesulfonate

Systemtic Name: pentan-2-yl 4-methylbenzenesulfonate Openeye Name: 1-methylbutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-methylbutyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18O3S/c1-4-5-11(3)15-16(13,14)12-8-6-10(2)7-9-12/h6-9,11H,4-5H2,1-3H3