(3,4-dimethyl-4-phenyl-hexan-3-yl) 4-bromanylbenzoate

Systemtic Name: (3,4-dimethyl-4-phenyl-hexan-3-yl) 4-bromanylbenzoate Openeye Name: (1-ethyl-1,2-dimethyl-2-phenyl-butyl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (3,4-dimethyl-4-phenylhexan-3-yl) ester IUPAC Name: (3,4-dimethyl-4-phenylhexan-3-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (1-ethyl-1,2-dimethyl-2-phenyl-butyl) ester Formula: C21H25BrO2 MolecularWeight: 389.326

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=CC=CC=C1)C(C)(CC)OC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC(C)(C1=CC=CC=C1)C(C)(CC)OC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H25BrO2/c1-5-20(3,17-10-8-7-9-11-17)21(4,6-2)24-19(23)16-12-14-18(22)15-13-16/h7-15H,5-6H2,1-4H3