4-[4-(4-chloranylphenoxy)phenoxy]pentanoate; dimethylazanium

Systemtic Name: 4-[4-(4-chloranylphenoxy)phenoxy]pentanoate; dimethylazanium Openeye Name: 4-[4-(4-chlorophenoxy)phenoxy]pentanoate; dimethylammonium CAS Name: 4-[4-(4-chlorophenoxy)phenoxy]pentanoate; dimethylammonium IUPAC Name: 4-[4-(4-chlorophenoxy)phenoxy]pentanoate; dimethylazanium Traditional Name: 4-[4-(4-chlorophenoxy)phenoxy]valerate; dimethylammonium Formula: C19H24ClNO4 MolecularWeight: 365.85116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl.C[NH2+]C

Isomeric SMILES

CC(CCC(=O)[O-])OC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl.C[NH2+]C

InChI

InChI=1S/C17H17ClO4.C2H7N/c1-12(2-11-17(19)20)21-14-7-9-16(10-8-14)22-15-5-3-13(18)4-6-15;1-3-2/h3-10,12H,2,11H2,1H3,(H,19,20);3H,1-2H3