3-(2-methylbutan-2-yl)-5-(7-methyloctyl)-2-oxidanyl-benzoic acid

Systemtic Name: 3-(2-methylbutan-2-yl)-5-(7-methyloctyl)-2-oxidanyl-benzoic acid Openeye Name: 3-(1,1-dimethylpropyl)-2-hydroxy-5-(7-methyloctyl)benzoic acid CAS Name: 2-hydroxy-3-(2-methylbutan-2-yl)-5-(7-methyloctyl)benzoic acid IUPAC Name: 2-hydroxy-3-(2-methylbutan-2-yl)-5-(7-methyloctyl)benzoic acid Traditional Name: 3-tert-amyl-2-hydroxy-5-(7-methyloctyl)benzoic acid Formula: C21H34O3 MolecularWeight: 334.49286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=C(C(=CC(=C1)CCCCCCC(C)C)C(=O)O)O

Isomeric SMILES

CCC(C)(C)C1=C(C(=CC(=C1)CCCCCCC(C)C)C(=O)O)O

InChI

InChI=1S/C21H34O3/c1-6-21(4,5)18-14-16(13-17(19(18)22)20(23)24)12-10-8-7-9-11-15(2)3/h13-15,22H,6-12H2,1-5H3,(H,23,24)