[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-tetradec-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-tetradec-2-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-tetradec-2-enoate CAS Name: (E)-2-tetradecenoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-tetradec-2-enoate Traditional Name: (E)-tetradec-2-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C30H48O2 MolecularWeight: 440.70092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC=CC(=O)OC1CC(CCC1C(C)(C)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCC/C=C/C(=O)O[C@@H]1C[C@@H](CC[C@H]1C(C)(C)C2=CC=CC=C2)C

InChI

InChI=1S/C30H48O2/c1-5-6-7-8-9-10-11-12-13-14-18-21-29(31)32-28-24-25(2)22-23-27(28)30(3,4)26-19-16-15-17-20-26/h15-21,25,27-28H,5-14,22-24H2,1-4H3/b21-18+/t25-,27-,28-/m1/s1