5-(2-methylheptan-2-yl)-2-oxidanyl-3-(phenylmethyl)benzoic acid

Systemtic Name: 5-(2-methylheptan-2-yl)-2-oxidanyl-3-(phenylmethyl)benzoic acid Openeye Name: 3-benzyl-5-(1,1-dimethylhexyl)-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-(phenylmethyl)benzoic acid IUPAC Name: 3-benzyl-2-hydroxy-5-(2-methylheptan-2-yl)benzoic acid Traditional Name: 3-benzyl-5-(1,1-dimethylhexyl)-2-hydroxy-benzoic acid Formula: C22H28O3 MolecularWeight: 340.45592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)C(=O)O)O)CC2=CC=CC=C2

InChI

InChI=1S/C22H28O3/c1-4-5-9-12-22(2,3)18-14-17(13-16-10-7-6-8-11-16)20(23)19(15-18)21(24)25/h6-8,10-11,14-15,23H,4-5,9,12-13H2,1-3H3,(H,24,25)