(1R,3R,4R)-4-methyl-3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,3R,4R)-4-methyl-3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,3R,4R)-3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-methyl-cyclohexanecarboxylic acid CAS Name: (1R,3R,4R)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-4-methyl-1-cyclohexanecarboxylic acid IUPAC Name: (1R,3R,4R)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-4-methylcyclohexane-1-carboxylic acid Traditional Name: (1R,3R,4R)-3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-methyl-cyclohexanecarboxylic acid Formula: C23H36O3 MolecularWeight: 360.53014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2C)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H36O3/c1-5-6-7-8-13-23(3,4)18-11-12-19(21(24)15-18)20-14-17(22(25)26)10-9-16(20)2/h11-12,15-17,20,24H,5-10,13-14H2,1-4H3,(H,25,26)/t16-,17-,20-/m1/s1