4-[1-(2-tert-butylphenyl)-2,2-dimethyl-propyl]decanoic acid

Systemtic Name: 4-[1-(2-tert-butylphenyl)-2,2-dimethyl-propyl]decanoic acid Openeye Name: 4-[1-(2-tert-butylphenyl)-2,2-dimethyl-propyl]decanoic acid CAS Name: 4-[1-(2-tert-butylphenyl)-2,2-dimethylpropyl]decanoic acid IUPAC Name: 4-[1-(2-tert-butylphenyl)-2,2-dimethylpropyl]decanoic acid Traditional Name: 4-[1-(2-tert-butylphenyl)-2,2-dimethyl-propyl]capric acid Formula: C25H42O2 MolecularWeight: 374.59978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC(=O)O)C(C1=CC=CC=C1C(C)(C)C)C(C)(C)C

Isomeric SMILES

CCCCCCC(CCC(=O)O)C(C1=CC=CC=C1C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C25H42O2/c1-8-9-10-11-14-19(17-18-22(26)27)23(25(5,6)7)20-15-12-13-16-21(20)24(2,3)4/h12-13,15-16,19,23H,8-11,14,17-18H2,1-7H3,(H,26,27)