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

Systemtic Name: (4-bromanyl-2-tert-butyl-phenyl) 4-heptoxybenzoate Openeye Name: (4-bromo-2-tert-butyl-phenyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (4-bromo-2-tert-butylphenyl) ester IUPAC Name: (4-bromo-2-tert-butylphenyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (4-bromo-2-tert-butyl-phenyl) ester Formula: C24H31BrO3 MolecularWeight: 447.40514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(C)(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(C)(C)C

InChI

InChI=1S/C24H31BrO3/c1-5-6-7-8-9-16-27-20-13-10-18(11-14-20)23(26)28-22-15-12-19(25)17-21(22)24(2,3)4/h10-15,17H,5-9,16H2,1-4H3