5-cyclohexylpentan-2-yl 3-bromanyl-4-octoxy-benzoate

Systemtic Name: 5-cyclohexylpentan-2-yl 3-bromanyl-4-octoxy-benzoate Openeye Name: (4-cyclohexyl-1-methyl-butyl) 3-bromo-4-octoxy-benzoate CAS Name: 3-bromo-4-octoxybenzoic acid 5-cyclohexylpentan-2-yl ester IUPAC Name: 5-cyclohexylpentan-2-yl 3-bromo-4-octoxybenzoate Traditional Name: 3-bromo-4-octoxy-benzoic acid (4-cyclohexyl-1-methyl-butyl) ester Formula: C26H41BrO3 MolecularWeight: 481.50594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC(C)CCCC2CCCCC2)Br

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC(C)CCCC2CCCCC2)Br

InChI

InChI=1S/C26H41BrO3/c1-3-4-5-6-7-11-19-29-25-18-17-23(20-24(25)27)26(28)30-21(2)13-12-16-22-14-9-8-10-15-22/h17-18,20-22H,3-16,19H2,1-2H3