(4-heptylphenyl) 4-(5-propyl-1,3,2-dioxaborinan-2-yl)benzoate

Systemtic Name: (4-heptylphenyl) 4-(5-propyl-1,3,2-dioxaborinan-2-yl)benzoate Openeye Name: (4-heptylphenyl) 4-(5-propyl-1,3,2-dioxaborinan-2-yl)benzoate CAS Name: 4-(5-propyl-1,3,2-dioxaborinan-2-yl)benzoic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-(5-propyl-1,3,2-dioxaborinan-2-yl)benzoate Traditional Name: 4-(5-propyl-1,3,2-dioxaborinan-2-yl)benzoic acid (4-heptylphenyl) ester Formula: C26H35BO4 MolecularWeight: 422.3647

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Descriptors Computed from Structure

Canonical SMILES:

B1(OCC(CO1)CCC)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC

Isomeric SMILES

B1(OCC(CO1)CCC)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CCCCCCC

InChI

InChI=1S/C26H35BO4/c1-3-5-6-7-8-10-21-11-17-25(18-12-21)31-26(28)23-13-15-24(16-14-23)27-29-19-22(9-4-2)20-30-27/h11-18,22H,3-10,19-20H2,1-2H3