(4-bromanylnaphthalen-1-yl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (4-bromanylnaphthalen-1-yl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (4-bromo-1-naphthyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (4-bromo-1-naphthalenyl) ester IUPAC Name: (4-bromonaphthalen-1-yl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (4-bromo-1-naphthyl) ester Formula: C21H18Br2O3 MolecularWeight: 478.17382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C3=CC=CC=C32)Br)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C3=CC=CC=C32)Br)Br

InChI

InChI=1S/C21H18Br2O3/c1-2-3-12-25-20-10-8-14(13-18(20)23)21(24)26-19-11-9-17(22)15-6-4-5-7-16(15)19/h4-11,13H,2-3,12H2,1H3