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

Systemtic Name: (5S)-5-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexene-1-carboxylic acid Openeye Name: (5S)-5-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cyclohexene-1-carboxylic acid CAS Name: (5S)-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-cyclohexenecarboxylic acid IUPAC Name: (5S)-5-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexene-1-carboxylic acid Traditional Name: (5S)-5-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cyclohexene-1-carboxylic acid Formula: C22H32O3 MolecularWeight: 344.48768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCC=C(C2)C(=O)O)O

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2CCC=C(C2)C(=O)O)O

InChI

InChI=1S/C22H32O3/c1-4-5-6-7-13-22(2,3)18-11-12-19(20(23)15-18)16-9-8-10-17(14-16)21(24)25/h10-12,15-16,23H,4-9,13-14H2,1-3H3,(H,24,25)/t16-/m0/s1