ethyl 5,8-dimethyl-7-oxidanyl-2-phenyl-4H-1,3,2-benzodioxaborinine-6-carboxylate

Systemtic Name: ethyl 5,8-dimethyl-7-oxidanyl-2-phenyl-4H-1,3,2-benzodioxaborinine-6-carboxylate Openeye Name: ethyl 7-hydroxy-5,8-dimethyl-2-phenyl-4H-1,3,2-benzodioxaborinine-6-carboxylate CAS Name: 7-hydroxy-5,8-dimethyl-2-phenyl-4H-1,3,2-benzodioxaborin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 7-hydroxy-5,8-dimethyl-2-phenyl-4H-1,3,2-benzodioxaborinine-6-carboxylate Traditional Name: 7-hydroxy-5,8-dimethyl-2-phenyl-4H-1,3,2-benzodioxaborin-6-carboxylic acid ethyl ester Formula: C18H19BO5 MolecularWeight: 326.15146

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC2=C(O1)C(=C(C(=C2C)C(=O)OCC)O)C)C3=CC=CC=C3

Isomeric SMILES

B1(OCC2=C(O1)C(=C(C(=C2C)C(=O)OCC)O)C)C3=CC=CC=C3

InChI

InChI=1S/C18H19BO5/c1-4-22-18(21)15-11(2)14-10-23-19(13-8-6-5-7-9-13)24-17(14)12(3)16(15)20/h5-9,20H,4,10H2,1-3H3