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-iodanyl-6-methoxy-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-iodanyl-6-methoxy-phenol Openeye Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborinin-6-yl)but-1-enyl]-2-iodo-6-methoxy-phenol CAS Name: 4-[(E)-2-ethyl-4-[2-hydroxy-5-(1-methylethenyl)-3,6-dihydrooxaborin-6-yl]but-1-enyl]-2-iodo-6-methoxyphenol IUPAC Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-prop-1-en-2-yl-3,6-dihydrooxaborinin-6-yl)but-1-enyl]-2-iodo-6-methoxyphenol Traditional Name: 4-[(E)-2-ethyl-4-(2-hydroxy-5-isopropenyl-3,6-dihydrooxaborin-6-yl)but-1-enyl]-2-iodo-6-methoxy-phenol Formula: C20H26BIO4 MolecularWeight: 468.13351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BIO4/c1-5-14(10-15-11-17(22)20(23)19(12-15)25-4)6-7-18-16(13(2)3)8-9-21(24)26-18/h8,10-12,18,23-24H,2,5-7,9H2,1,3-4H3/b14-10+