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

Systemtic Name: 3-chloranyl-4-[(E)-2-methyl-4-(2-oxidanyl-5-prop-1-en-2-yl-3,6-dihydro-1,2-oxaborinin-6-yl)but-1-enyl]phenol Openeye Name: 3-chloro-4-[(E)-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborinin-6-yl)-2-methyl-but-1-enyl]phenol CAS Name: 3-chloro-4-[(E)-4-[2-hydroxy-5-(1-methylethenyl)-3,6-dihydrooxaborin-6-yl]-2-methylbut-1-enyl]phenol IUPAC Name: 3-chloro-4-[(E)-4-(2-hydroxy-5-prop-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)-2-methylbut-1-enyl]phenol Traditional Name: 3-chloro-4-[(E)-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborin-6-yl)-2-methyl-but-1-enyl]phenol Formula: C18H22BClO3 MolecularWeight: 332.62948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BClO3/c1-12(2)16-8-9-19(22)23-18(16)7-4-13(3)10-14-5-6-15(21)11-17(14)20/h5-6,8,10-11,18,21-22H,1,4,7,9H2,2-3H3/b13-10+