[(1S,2R)-2-phenanthren-9-ylcyclohexyl] 4,4-dimethyl-3-oxidanyl-pentanoate

Systemtic Name: [(1S,2R)-2-phenanthren-9-ylcyclohexyl] 4,4-dimethyl-3-oxidanyl-pentanoate Openeye Name: [(1S,2R)-2-(9-phenanthryl)cyclohexyl] 3-hydroxy-4,4-dimethyl-pentanoate CAS Name: 3-hydroxy-4,4-dimethylpentanoic acid [(1S,2R)-2-(9-phenanthrenyl)cyclohexyl] ester IUPAC Name: [(1S,2R)-2-phenanthren-9-ylcyclohexyl] 3-hydroxy-4,4-dimethylpentanoate Traditional Name: 3-hydroxy-4,4-dimethyl-valeric acid [(1S,2R)-2-(9-phenanthryl)cyclohexyl] ester Formula: C27H32O3 MolecularWeight: 404.54118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(=O)OC1CCCCC1C2=CC3=CC=CC=C3C4=CC=CC=C42)O

Isomeric SMILES

CC(C)(C)C(CC(=O)O[C@H]1CCCC[C@@H]1C2=CC3=CC=CC=C3C4=CC=CC=C42)O

InChI

InChI=1S/C27H32O3/c1-27(2,3)25(28)17-26(29)30-24-15-9-8-14-22(24)23-16-18-10-4-5-11-19(18)20-12-6-7-13-21(20)23/h4-7,10-13,16,22,24-25,28H,8-9,14-15,17H2,1-3H3/t22-,24+,25?/m1/s1