[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-hexoxybenzoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 4-hexoxybenzoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 4-hexoxybenzoate CAS Name: 4-hexoxybenzoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-hexoxybenzoate Traditional Name: 4-hexoxybenzoic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C23H36O3 MolecularWeight: 360.53014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)OC2CC(CCC2C(C)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)O[C@H]2C[C@H](CC[C@@H]2C(C)C)C

InChI

InChI=1S/C23H36O3/c1-5-6-7-8-15-25-20-12-10-19(11-13-20)23(24)26-22-16-18(4)9-14-21(22)17(2)3/h10-13,17-18,21-22H,5-9,14-16H2,1-4H3/t18-,21+,22-/m0/s1