propan-2-yl 3-tert-butylbenzenesulfonate

Systemtic Name: propan-2-yl 3-tert-butylbenzenesulfonate Openeye Name: isopropyl 3-tert-butylbenzenesulfonate CAS Name: 3-tert-butylbenzenesulfonic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-tert-butylbenzenesulfonate Traditional Name: 3-tert-butylbenzenesulfonic acid isopropyl ester Formula: C13H20O3S MolecularWeight: 256.3611

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20O3S/c1-10(2)16-17(14,15)12-8-6-7-11(9-12)13(3,4)5/h6-10H,1-5H3