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

Systemtic Name: (1R,3S)-3-[4-(2-methyloctan-2-yl)-2-oxidanyl-phenyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,3S)-3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cyclohexanecarboxylic acid CAS Name: (1R,3S)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,3S)-3-[2-hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,3S)-3-[4-(1,1-dimethylheptyl)-2-hydroxy-phenyl]cyclohexanecarboxylic acid Formula: C22H34O3 MolecularWeight: 346.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)C(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H34O3/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/h11-12,15-17,23H,4-10,13-14H2,1-3H3,(H,24,25)/t16-,17+/m0/s1