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

Systemtic Name: 4-[(E)-2-ethyl-4-(2-oxidanyl-5-prop-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)but-1-enyl]phenol Openeye Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborinin-6-yl)but-1-enyl]phenol CAS Name: 4-[(E)-2-ethyl-4-[2-hydroxy-5-(1-methylethenyl)-3,6-dihydrooxaborin-6-yl]but-1-enyl]phenol IUPAC Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-prop-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)but-1-enyl]phenol Traditional Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborin-6-yl)but-1-enyl]phenol Formula: C19H25BO3 MolecularWeight: 312.211

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BO3/c1-4-15(13-16-5-8-17(21)9-6-16)7-10-19-18(14(2)3)11-12-20(22)23-19/h5-6,8-9,11,13,19,21-22H,2,4,7,10,12H2,1,3H3/b15-13+