(4-chloranyl-3,5-dimethyl-phenyl) 4-tert-butylbenzenesulfonate

Systemtic Name: (4-chloranyl-3,5-dimethyl-phenyl) 4-tert-butylbenzenesulfonate Openeye Name: (4-chloro-3,5-dimethyl-phenyl) 4-tert-butylbenzenesulfonate CAS Name: 4-tert-butylbenzenesulfonic acid (4-chloro-3,5-dimethylphenyl) ester IUPAC Name: (4-chloro-3,5-dimethylphenyl) 4-tert-butylbenzenesulfonate Traditional Name: 4-tert-butylbenzenesulfonic acid (4-chloro-3,5-dimethyl-phenyl) ester Formula: C18H21ClO3S MolecularWeight: 352.87554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H21ClO3S/c1-12-10-15(11-13(2)17(12)19)22-23(20,21)16-8-6-14(7-9-16)18(3,4)5/h6-11H,1-5H3