3-phenylpropyl 4-bromanyl-3-oxidanyl-benzoate

Systemtic Name: 3-phenylpropyl 4-bromanyl-3-oxidanyl-benzoate Openeye Name: 3-phenylpropyl 4-bromo-3-hydroxy-benzoate CAS Name: 4-bromo-3-hydroxybenzoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-bromo-3-hydroxybenzoate Traditional Name: 4-bromo-3-hydroxy-benzoic acid 3-phenylpropyl ester Formula: C16H15BrO3 MolecularWeight: 335.1925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=C(C=C2)Br)O

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)C2=CC(=C(C=C2)Br)O

InChI

InChI=1S/C16H15BrO3/c17-14-9-8-13(11-15(14)18)16(19)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,18H,4,7,10H2