3-[(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: 3-[(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: 3-[(E)-2-ethyl-4-[2-hydroxy-5-(1-methylenebutyl)-3,6-dihydrooxaborinin-6-yl]but-1-enyl]phenol CAS Name: 3-[(E)-2-ethyl-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborin-6-yl)but-1-enyl]phenol IUPAC Name: 3-[(E)-2-ethyl-4-(2-hydroxy-5-pent-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)but-1-enyl]phenol Traditional Name: 3-[(E)-2-ethyl-4-[2-hydroxy-5-(1-propylvinyl)-3,6-dihydrooxaborin-6-yl]but-1-enyl]phenol Formula: C21H29BO3 MolecularWeight: 340.26416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BO3/c1-4-7-16(3)20-12-13-22(24)25-21(20)11-10-17(5-2)14-18-8-6-9-19(23)15-18/h6,8-9,12,14-15,21,23-24H,3-5,7,10-11,13H2,1-2H3/b17-14+