4-bromanyl-2-[(E)-2-ethyl-4-(2-oxidanyl-5-pent-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)but-1-enyl]phenol

Systemtic Name: 4-bromanyl-2-[(E)-2-ethyl-4-(2-oxidanyl-5-pent-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)but-1-enyl]phenol Openeye Name: 4-bromo-2-[(E)-2-ethyl-4-[2-hydroxy-5-(1-methylenebutyl)-3,6-dihydrooxaborinin-6-yl]but-1-enyl]phenol CAS Name: 4-bromo-2-[(E)-2-ethyl-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborin-6-yl)but-1-enyl]phenol IUPAC Name: 4-bromo-2-[(E)-2-ethyl-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)but-1-enyl]phenol Traditional Name: 4-bromo-2-[(E)-2-ethyl-4-[2-hydroxy-5-(1-propylvinyl)-3,6-dihydrooxaborin-6-yl]but-1-enyl]phenol Formula: C21H28BBrO3 MolecularWeight: 419.16022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BBrO3/c1-4-6-15(3)19-11-12-22(25)26-21(19)10-7-16(5-2)13-17-14-18(23)8-9-20(17)24/h8-9,11,13-14,21,24-25H,3-7,10,12H2,1-2H3/b16-13+