[2-oxidanyl-3-(oxidanylideneboranylmethylideneamino)-4-phenyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [2-oxidanyl-3-(oxidanylideneboranylmethylideneamino)-4-phenyl-butyl] 4-methylbenzenesulfonate Openeye Name: [2-hydroxy-3-(oxoboranylmethyleneamino)-4-phenyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(oxoboranylmethylideneamino)-4-phenylbutyl] ester IUPAC Name: [2-hydroxy-3-(oxoboranylmethylideneamino)-4-phenylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(ketoboranylmethyleneamino)-4-phenyl-butyl] ester Formula: C18H20BNO5S MolecularWeight: 373.2311

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Descriptors Computed from Structure

Canonical SMILES:

B(=O)C=NC(CC1=CC=CC=C1)C(COS(=O)(=O)C2=CC=C(C=C2)C)O

Isomeric SMILES

B(=O)C=NC(CC1=CC=CC=C1)C(COS(=O)(=O)C2=CC=C(C=C2)C)O

InChI

InChI=1S/C18H20BNO5S/c1-14-7-9-16(10-8-14)26(23,24)25-12-18(21)17(20-13-19-22)11-15-5-3-2-4-6-15/h2-10,13,17-18,21H,11-12H2,1H3