2,2-dimethylpentyl 4-methylbenzenesulfonate

Systemtic Name: 2,2-dimethylpentyl 4-methylbenzenesulfonate Openeye Name: 2,2-dimethylpentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2,2-dimethylpentyl ester IUPAC Name: 2,2-dimethylpentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2,2-dimethylpentyl ester Formula: C14H22O3S MolecularWeight: 270.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O3S/c1-5-10-14(3,4)11-17-18(15,16)13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3