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

Systemtic Name: 3-[(E)-2-methyl-4-(2-oxidanyl-5-pent-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)but-1-enyl]phenol Openeye Name: 3-[(E)-4-[2-hydroxy-5-(1-methylenebutyl)-3,6-dihydrooxaborinin-6-yl]-2-methyl-but-1-enyl]phenol CAS Name: 3-[(E)-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborin-6-yl)-2-methylbut-1-enyl]phenol IUPAC Name: 3-[(E)-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)-2-methylbut-1-enyl]phenol Traditional Name: 3-[(E)-4-[2-hydroxy-5-(1-propylvinyl)-3,6-dihydrooxaborin-6-yl]-2-methyl-but-1-enyl]phenol Formula: C20H27BO3 MolecularWeight: 326.23758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BO3/c1-4-6-16(3)19-11-12-21(23)24-20(19)10-9-15(2)13-17-7-5-8-18(22)14-17/h5,7-8,11,13-14,20,22-23H,3-4,6,9-10,12H2,1-2H3/b15-13+