1-[(3R,4S)-1-oxidanyl-3-propyl-3,4-dihydro-2,1-benzoxaborinin-4-yl]pentan-1-one

Systemtic Name: 1-[(3R,4S)-1-oxidanyl-3-propyl-3,4-dihydro-2,1-benzoxaborinin-4-yl]pentan-1-one Openeye Name: 1-[(3R,4S)-1-hydroxy-3-propyl-3,4-dihydro-2,1-benzoxaborinin-4-yl]pentan-1-one CAS Name: 1-[(3R,4S)-1-hydroxy-3-propyl-3,4-dihydro-2,1-benzoxaborin-4-yl]-1-pentanone IUPAC Name: 1-[(3R,4S)-1-hydroxy-3-propyl-3,4-dihydro-2,1-benzoxaborinin-4-yl]pentan-1-one Traditional Name: 1-[(3R,4S)-1-hydroxy-3-propyl-3,4-dihydro-2,1-benzoxaborin-4-yl]pentan-1-one Formula: C16H23BO3 MolecularWeight: 274.16302

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Descriptors Computed from Structure

Canonical SMILES:

B1(C2=CC=CC=C2C(C(O1)CCC)C(=O)CCCC)O

Isomeric SMILES

B1(C2=CC=CC=C2[C@@H]([C@H](O1)CCC)C(=O)CCCC)O

InChI

InChI=1S/C16H23BO3/c1-3-5-11-14(18)16-12-9-6-7-10-13(12)17(19)20-15(16)8-4-2/h6-7,9-10,15-16,19H,3-5,8,11H2,1-2H3/t15-,16-/m1/s1