3-[2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-cyclohexyl]propanoic acid

Systemtic Name: 3-[2-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]-4-oxidanyl-cyclohexyl]propanoic acid Openeye Name: 3-[2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-cyclohexyl]propanoic acid CAS Name: 3-[4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexyl]propanoic acid IUPAC Name: 3-[4-hydroxy-2-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexyl]propanoic acid Traditional Name: 3-[2-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]-4-hydroxy-cyclohexyl]propionic acid Formula: C24H38O4 MolecularWeight: 390.55612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38O4/c1-4-5-6-7-14-24(2,3)18-10-12-20(22(26)15-18)21-16-19(25)11-8-17(21)9-13-23(27)28/h10,12,15,17,19,21,25-26H,4-9,11,13-14,16H2,1-3H3,(H,27,28)