4-(4-ethanoyl-8-methyl-8-oxidanyl-tridecyl)benzoic acid

Systemtic Name: 4-(4-ethanoyl-8-methyl-8-oxidanyl-tridecyl)benzoic acid Openeye Name: 4-(4-acetyl-8-hydroxy-8-methyl-tridecyl)benzoic acid CAS Name: 4-(4-acetyl-8-hydroxy-8-methyltridecyl)benzoic acid IUPAC Name: 4-(4-acetyl-8-hydroxy-8-methyltridecyl)benzoic acid Traditional Name: 4-(4-acetyl-8-hydroxy-8-methyl-tridecyl)benzoic acid Formula: C23H36O4 MolecularWeight: 376.52954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCCC(CCCC1=CC=C(C=C1)C(=O)O)C(=O)C)O

Isomeric SMILES

CCCCCC(C)(CCCC(CCCC1=CC=C(C=C1)C(=O)O)C(=O)C)O

InChI

InChI=1S/C23H36O4/c1-4-5-6-16-23(3,27)17-8-11-20(18(2)24)10-7-9-19-12-14-21(15-13-19)22(25)26/h12-15,20,27H,4-11,16-17H2,1-3H3,(H,25,26)