3-(dihydroxyboranyl)-1-(phenylmethyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 3-(dihydroxyboranyl)-1-(phenylmethyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-benzyl-3-borono-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 3-borono-1-(phenylmethyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-benzyl-3-boronocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-benzyl-3-borono-cyclohexa-2,4-diene-1-carboxylic acid Formula: C14H15BO4 MolecularWeight: 258.0775

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(CC=C1)(CC2=CC=CC=C2)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC(CC=C1)(CC2=CC=CC=C2)C(=O)O)(O)O

InChI

InChI=1S/C14H15BO4/c16-13(17)14(9-11-5-2-1-3-6-11)8-4-7-12(10-14)15(18)19/h1-7,10,18-19H,8-9H2,(H,16,17)