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

Systemtic Name: (1R,3R,4R)-3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-propyl-cyclohexane-1-carboxylic acid Openeye Name: (1R,3R,4R)-3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-propyl-cyclohexanecarboxylic acid CAS Name: (1R,3R,4R)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-4-propyl-1-cyclohexanecarboxylic acid IUPAC Name: (1R,3R,4R)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-4-propylcyclohexane-1-carboxylic acid Traditional Name: (1R,3R,4R)-3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-propyl-cyclohexanecarboxylic acid Formula: C25H40O3 MolecularWeight: 388.5833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCC2CCC)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H40O3/c1-5-7-8-9-15-25(3,4)20-13-14-21(23(26)17-20)22-16-19(24(27)28)12-11-18(22)10-6-2/h13-14,17-19,22,26H,5-12,15-16H2,1-4H3,(H,27,28)/t18-,19-,22-/m1/s1