4-bromanyl-2-[(E)-2-ethyl-4-[(6R)-2-oxidanyl-3,6-dihydro-1,2-oxaborinin-6-yl]but-1-enyl]phenol

Systemtic Name: 4-bromanyl-2-[(E)-2-ethyl-4-[(6R)-2-oxidanyl-3,6-dihydro-1,2-oxaborinin-6-yl]but-1-enyl]phenol Openeye Name: 4-bromo-2-[(E)-2-ethyl-4-[(6R)-2-hydroxy-3,6-dihydrooxaborinin-6-yl]but-1-enyl]phenol CAS Name: 4-bromo-2-[(E)-2-ethyl-4-[(6R)-2-hydroxy-3,6-dihydrooxaborin-6-yl]but-1-enyl]phenol IUPAC Name: 4-bromo-2-[(E)-2-ethyl-4-[(6R)-2-hydroxy-3,6-dihydrooxaborinin-6-yl]but-1-enyl]phenol Traditional Name: 4-bromo-2-[(E)-2-ethyl-4-[(6R)-2-hydroxy-3,6-dihydrooxaborin-6-yl]but-1-enyl]phenol Formula: C16H20BBrO3 MolecularWeight: 351.0432

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC=CC(O1)CCC(=CC2=C(C=CC(=C2)Br)O)CC)O

Isomeric SMILES

B1(CC=C[C@H](O1)CC/C(=C/C2=C(C=CC(=C2)Br)O)/CC)O

InChI

InChI=1S/C16H20BBrO3/c1-2-12(5-7-15-4-3-9-17(20)21-15)10-13-11-14(18)6-8-16(13)19/h3-4,6,8,10-11,15,19-20H,2,5,7,9H2,1H3/b12-10+/t15-/m0/s1