4-pentyl-2-phenyl-1,3,2-dioxaboretane-4-carboxylic acid

Systemtic Name: 4-pentyl-2-phenyl-1,3,2-dioxaboretane-4-carboxylic acid Openeye Name: 4-pentyl-2-phenyl-1,3,2-dioxaboretane-4-carboxylic acid CAS Name: 4-pentyl-2-phenyl-1,3,2-dioxaboretane-4-carboxylic acid IUPAC Name: 4-pentyl-2-phenyl-1,3,2-dioxaboretane-4-carboxylic acid Traditional Name: 4-amyl-2-phenyl-1,3,2-dioxaboretane-4-carboxylic acid Formula: C13H17BO4 MolecularWeight: 248.08268

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Descriptors Computed from Structure

Canonical SMILES:

B1(OC(O1)(CCCCC)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

B1(OC(O1)(CCCCC)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C13H17BO4/c1-2-3-7-10-13(12(15)16)17-14(18-13)11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10H2,1H3,(H,15,16)