[(4S)-4-chloranyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [(4S)-4-chloranyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl] 4-methylbenzenesulfonate Openeye Name: [(4S)-4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4S)-4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl] ester IUPAC Name: [(4S)-4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4S)-4-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)butyl] ester Formula: C17H26BClO5S MolecularWeight: 388.71434

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(C(O1)(C)C)(C)C)C(CCCOS(=O)(=O)C2=CC=C(C=C2)C)Cl

Isomeric SMILES

B1(OC(C(O1)(C)C)(C)C)[C@@H](CCCOS(=O)(=O)C2=CC=C(C=C2)C)Cl

InChI

InChI=1S/C17H26BClO5S/c1-13-8-10-14(11-9-13)25(20,21)22-12-6-7-15(19)18-23-16(2,3)17(4,5)24-18/h8-11,15H,6-7,12H2,1-5H3/t15-/m1/s1