pentan-3-yl 4-methylbenzenesulfonate

Systemtic Name: pentan-3-yl 4-methylbenzenesulfonate Openeye Name: 1-ethylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid pentan-3-yl ester IUPAC Name: pentan-3-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-ethylpropyl ester Formula: C12H18O3S MolecularWeight: 242.33452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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