3-hexyl-2-oxidanylidene-6-(4-pentylphenyl)oxane-3-carboxylic acid

Systemtic Name: 3-hexyl-2-oxidanylidene-6-(4-pentylphenyl)oxane-3-carboxylic acid Openeye Name: 3-hexyl-2-oxo-6-(4-pentylphenyl)tetrahydropyran-3-carboxylic acid CAS Name: 3-hexyl-2-oxo-6-(4-pentylphenyl)-3-oxanecarboxylic acid IUPAC Name: 3-hexyl-2-oxo-6-(4-pentylphenyl)oxane-3-carboxylic acid Traditional Name: 6-(4-amylphenyl)-3-hexyl-2-keto-tetrahydropyran-3-carboxylic acid Formula: C23H34O4 MolecularWeight: 374.51366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(CCC(OC1=O)C2=CC=C(C=C2)CCCCC)C(=O)O

Isomeric SMILES

CCCCCCC1(CCC(OC1=O)C2=CC=C(C=C2)CCCCC)C(=O)O

InChI

InChI=1S/C23H34O4/c1-3-5-7-9-16-23(21(24)25)17-15-20(27-22(23)26)19-13-11-18(12-14-19)10-8-6-4-2/h11-14,20H,3-10,15-17H2,1-2H3,(H,24,25)