4-bromanyl-2-[(Z)-4-(2-oxidanyl-5-prop-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-prop-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-isopropenyl-3,6-dihydrooxaborinin-6-yl)-2-phenyl-but-1-enyl]phenol CAS Name: 4-bromo-2-[(Z)-4-[2-hydroxy-5-(1-methylethenyl)-3,6-dihydrooxaborin-6-yl]-2-phenylbut-1-enyl]phenol IUPAC Name: 4-bromo-2-[(Z)-4-(2-hydroxy-5-prop-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)-2-phenylbut-1-enyl]phenol Traditional Name: 4-bromo-2-[(Z)-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborin-6-yl)-2-phenyl-but-1-enyl]phenol Formula: C23H24BBrO3 MolecularWeight: 439.14986

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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)C)O

Isomeric SMILES

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

InChI

InChI=1S/C23H24BBrO3/c1-16(2)21-12-13-24(27)28-23(21)11-8-18(17-6-4-3-5-7-17)14-19-15-20(25)9-10-22(19)26/h3-7,9-10,12,14-15,23,26-27H,1,8,11,13H2,2H3/b18-14-