(4R,5R)-4-ethyl-5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexene-1-carboxylic acid

Systemtic Name: (4R,5R)-4-ethyl-5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexene-1-carboxylic acid Openeye Name: (4R,5R)-5-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-ethyl-cyclohexene-1-carboxylic acid CAS Name: (4R,5R)-4-ethyl-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-cyclohexenecarboxylic acid IUPAC Name: (4R,5R)-4-ethyl-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexene-1-carboxylic acid Traditional Name: (4R,5R)-5-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-ethyl-cyclohexene-1-carboxylic acid Formula: C24H36O3 MolecularWeight: 372.54084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(=CCC2CC)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H36O3/c1-5-7-8-9-14-24(3,4)19-12-13-20(22(25)16-19)21-15-18(23(26)27)11-10-17(21)6-2/h11-13,16-17,21,25H,5-10,14-15H2,1-4H3,(H,26,27)/t17-,21-/m1/s1