methyl 3-bromanyl-4,6-bis(oxidanyl)-2-(phenylmethoxymethyl)benzoate

Systemtic Name: methyl 3-bromanyl-4,6-bis(oxidanyl)-2-(phenylmethoxymethyl)benzoate Openeye Name: methyl 2-(benzyloxymethyl)-3-bromo-4,6-dihydroxy-benzoate CAS Name: 3-bromo-4,6-dihydroxy-2-(phenylmethoxymethyl)benzoic acid methyl ester IUPAC Name: methyl 3-bromo-4,6-dihydroxy-2-(phenylmethoxymethyl)benzoate Traditional Name: 2-(benzoxymethyl)-3-bromo-4,6-dihydroxy-benzoic acid methyl ester Formula: C16H15BrO5 MolecularWeight: 367.1913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=C(C=C1O)O)Br)COCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=C(C(=C(C=C1O)O)Br)COCC2=CC=CC=C2

InChI

InChI=1S/C16H15BrO5/c1-21-16(20)14-11(15(17)13(19)7-12(14)18)9-22-8-10-5-3-2-4-6-10/h2-7,18-19H,8-9H2,1H3