4-[(E)-2-ethyl-4-(2-oxidanyl-5-prop-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)but-1-enyl]-2,6-dimethyl-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]-2,6-dimethyl-phenol Openeye Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborinin-6-yl)but-1-enyl]-2,6-dimethyl-phenol CAS Name: 4-[(E)-2-ethyl-4-[2-hydroxy-5-(1-methylethenyl)-3,6-dihydrooxaborin-6-yl]but-1-enyl]-2,6-dimethylphenol IUPAC Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-prop-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)but-1-enyl]-2,6-dimethylphenol Traditional Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborin-6-yl)but-1-enyl]-2,6-dimethyl-phenol Formula: C21H29BO3 MolecularWeight: 340.26416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29BO3/c1-6-17(13-18-11-15(4)21(23)16(5)12-18)7-8-20-19(14(2)3)9-10-22(24)25-20/h9,11-13,20,23-24H,2,6-8,10H2,1,3-5H3/b17-13+