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

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

Systemtic Name:(5-methyl-2-propan-2-yl-cyclohexyl) 4-(4-octylphenyl)benzoate
Openeye Name:(2-isopropyl-5-methyl-cyclohexyl) 4-(4-octylphenyl)benzoate
CAS Name:4-(4-octylphenyl)benzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester
IUPAC Name:(5-methyl-2-propan-2-ylcyclohexyl) 4-(4-octylphenyl)benzoate
Traditional Name:4-(4-octylphenyl)benzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester
Formula: C31H44O2
MolecularWeight: 448.67986
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CC(CCC3C(C)C)C


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CC(CCC3C(C)C)C


InChI

InChI=1S/C31H44O2/c1-5-6-7-8-9-10-11-25-13-15-26(16-14-25)27-17-19-28(20-18-27)31(32)33-30-22-24(4)12-21-29(30)23(2)3/h13-20,23-24,29-30H,5-12,21-22H2,1-4H3


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