[(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] dodecanoate

Systemtic Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] dodecanoate Openeye Name: [(1R,2S)-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] dodecanoate CAS Name: dodecanoic acid [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S)-2-(2-phenylpropan-2-yl)cyclohexyl] dodecanoate Traditional Name: lauric acid [(1R,2S)-2-cumylcyclohexyl] ester Formula: C27H44O2 MolecularWeight: 400.63706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1CCCCC1C(C)(C)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1C(C)(C)C2=CC=CC=C2

InChI

InChI=1S/C27H44O2/c1-4-5-6-7-8-9-10-11-15-22-26(28)29-25-21-17-16-20-24(25)27(2,3)23-18-13-12-14-19-23/h12-14,18-19,24-25H,4-11,15-17,20-22H2,1-3H3/t24-,25-/m1/s1