(2-bromanyl-4-tert-butyl-phenyl) 4-pentoxybenzoate

Systemtic Name: (2-bromanyl-4-tert-butyl-phenyl) 4-pentoxybenzoate Openeye Name: (2-bromo-4-tert-butyl-phenyl) 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid (2-bromo-4-tert-butylphenyl) ester IUPAC Name: (2-bromo-4-tert-butylphenyl) 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid (2-bromo-4-tert-butyl-phenyl) ester Formula: C22H27BrO3 MolecularWeight: 419.35198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)Br

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C(C)(C)C)Br

InChI

InChI=1S/C22H27BrO3/c1-5-6-7-14-25-18-11-8-16(9-12-18)21(24)26-20-13-10-17(15-19(20)23)22(2,3)4/h8-13,15H,5-7,14H2,1-4H3