[(5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-(4-hexoxyphenyl)benzoate

Systemtic Name: [(5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-(4-hexoxyphenyl)benzoate Openeye Name: [(5S)-2-isopropyl-5-methyl-cyclohexyl] 4-(4-hexoxyphenyl)benzoate CAS Name: 4-(4-hexoxyphenyl)benzoic acid [(5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-(4-hexoxyphenyl)benzoate Traditional Name: 4-(4-hexoxyphenyl)benzoic acid [(5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C29H40O3 MolecularWeight: 436.6261

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3CC(CCC3C(C)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3C[C@H](CCC3C(C)C)C

InChI

InChI=1S/C29H40O3/c1-5-6-7-8-19-31-26-16-14-24(15-17-26)23-10-12-25(13-11-23)29(30)32-28-20-22(4)9-18-27(28)21(2)3/h10-17,21-22,27-28H,5-9,18-20H2,1-4H3/t22-,27?,28?/m0/s1