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pentan-2-yl 4-methylbenzenesulfonate

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


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