5-(2-nonylphenoxy)-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(2-nonylphenoxy)-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-nonylphenoxy)-5-oxo-pentanoic acid CAS Name: 5-(2-nonylphenoxy)-5-oxopentanoic acid IUPAC Name: 5-(2-nonylphenoxy)-5-oxopentanoic acid Traditional Name: 5-keto-5-(2-nonylphenoxy)valeric acid Formula: C20H30O4 MolecularWeight: 334.4498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC=C1OC(=O)CCCC(=O)O

Isomeric SMILES

CCCCCCCCCC1=CC=CC=C1OC(=O)CCCC(=O)O

InChI

InChI=1S/C20H30O4/c1-2-3-4-5-6-7-8-12-17-13-9-10-14-18(17)24-20(23)16-11-15-19(21)22/h9-10,13-14H,2-8,11-12,15-16H2,1H3,(H,21,22)