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

Systemtic Name: 4-bromanyl-2-[(Z)-4-(2-oxidanyl-5-pent-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)-2-phenyl-but-1-enyl]phenol Openeye Name: 4-bromo-2-[(Z)-4-[2-hydroxy-5-(1-methylenebutyl)-3,6-dihydrooxaborinin-6-yl]-2-phenyl-but-1-enyl]phenol CAS Name: 4-bromo-2-[(Z)-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborin-6-yl)-2-phenylbut-1-enyl]phenol IUPAC Name: 4-bromo-2-[(Z)-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)-2-phenylbut-1-enyl]phenol Traditional Name: 4-bromo-2-[(Z)-4-[2-hydroxy-5-(1-propylvinyl)-3,6-dihydrooxaborin-6-yl]-2-phenyl-but-1-enyl]phenol Formula: C25H28BBrO3 MolecularWeight: 467.20302

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Descriptors Computed from Structure

Canonical SMILES:

B1(CC=C(C(O1)CCC(=CC2=C(C=CC(=C2)Br)O)C3=CC=CC=C3)C(=C)CCC)O

Isomeric SMILES

B1(CC=C(C(O1)CC/C(=C/C2=C(C=CC(=C2)Br)O)/C3=CC=CC=C3)C(=C)CCC)O

InChI

InChI=1S/C25H28BBrO3/c1-3-7-18(2)23-14-15-26(29)30-25(23)13-10-20(19-8-5-4-6-9-19)16-21-17-22(27)11-12-24(21)28/h4-6,8-9,11-12,14,16-17,25,28-29H,2-3,7,10,13,15H2,1H3/b20-16-