4-methylpentan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 4-methylpentan-2-yl 4-methylbenzenesulfonate Openeye Name: 1,3-dimethylbutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 4-methylpentan-2-yl ester IUPAC Name: 4-methylpentan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1,3-dimethylbutyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C)CC(C)C

InChI

InChI=1S/C13H20O3S/c1-10(2)9-12(4)16-17(14,15)13-7-5-11(3)6-8-13/h5-8,10,12H,9H2,1-4H3