5-(2-methylheptan-2-yl)-3-[4-(2-methylheptan-2-yl)phenyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-(2-methylheptan-2-yl)-3-[4-(2-methylheptan-2-yl)phenyl]-2-oxidanyl-benzoic acid Openeye Name: 5-(1,1-dimethylhexyl)-3-[4-(1,1-dimethylhexyl)phenyl]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-[4-(2-methylheptan-2-yl)phenyl]benzoic acid IUPAC Name: 2-hydroxy-5-(2-methylheptan-2-yl)-3-[4-(2-methylheptan-2-yl)phenyl]benzoic acid Traditional Name: 5-(1,1-dimethylhexyl)-3-[4-(1,1-dimethylhexyl)phenyl]-2-hydroxy-benzoic acid Formula: C29H42O3 MolecularWeight: 438.64198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)C2=CC(=CC(=C2O)C(=O)O)C(C)(C)CCCCC

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)C2=CC(=CC(=C2O)C(=O)O)C(C)(C)CCCCC

InChI

InChI=1S/C29H42O3/c1-7-9-11-17-28(3,4)22-15-13-21(14-16-22)24-19-23(20-25(26(24)30)27(31)32)29(5,6)18-12-10-8-2/h13-16,19-20,30H,7-12,17-18H2,1-6H3,(H,31,32)