2-[4-(4-chloranylphenoxy)phenoxy]propanoate; dipropylazanium

Systemtic Name: 2-[4-(4-chloranylphenoxy)phenoxy]propanoate; dipropylazanium Openeye Name: 2-[4-(4-chlorophenoxy)phenoxy]propanoate; dipropylammonium CAS Name: 2-[4-(4-chlorophenoxy)phenoxy]propanoate; dipropylammonium IUPAC Name: 2-[4-(4-chlorophenoxy)phenoxy]propanoate; dipropylazanium Traditional Name: 2-[4-(4-chlorophenoxy)phenoxy]propionate; dipropylammonium Formula: C21H28ClNO4 MolecularWeight: 393.90432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13ClO4.C6H15N/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13;1-3-5-7-6-4-2/h2-10H,1H3,(H,17,18);7H,3-6H2,1-2H3