(5-methyl-2-propan-2-yl-cyclohexyl) 4-(4-octoxyphenyl)benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 4-(4-octoxyphenyl)benzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C31H44O3 MolecularWeight: 464.67926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CC(CCC3C(C)C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CC(CCC3C(C)C)C

InChI

InChI=1S/C31H44O3/c1-5-6-7-8-9-10-21-33-28-18-16-26(17-19-28)25-12-14-27(15-13-25)31(32)34-30-22-24(4)11-20-29(30)23(2)3/h12-19,23-24,29-30H,5-11,20-22H2,1-4H3