5-[5-[3,4-bis(chloranyl)-2-propyl-phenoxy]pentoxy]-4-oxidanylidene-pyran-2-carboxylic acid

Systemtic Name: 5-[5-[3,4-bis(chloranyl)-2-propyl-phenoxy]pentoxy]-4-oxidanylidene-pyran-2-carboxylic acid Openeye Name: 5-[5-(3,4-dichloro-2-propyl-phenoxy)pentoxy]-4-oxo-pyran-2-carboxylic acid CAS Name: 5-[5-(3,4-dichloro-2-propylphenoxy)pentoxy]-4-oxo-2-pyrancarboxylic acid IUPAC Name: 5-[5-(3,4-dichloro-2-propylphenoxy)pentoxy]-4-oxopyran-2-carboxylic acid Traditional Name: 5-[5-(3,4-dichloro-2-propyl-phenoxy)pentoxy]-4-keto-pyran-2-carboxylic acid Formula: C20H22Cl2O6 MolecularWeight: 429.29108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1Cl)Cl)OCCCCCOC2=COC(=CC2=O)C(=O)O

Isomeric SMILES

CCCC1=C(C=CC(=C1Cl)Cl)OCCCCCOC2=COC(=CC2=O)C(=O)O

InChI

InChI=1S/C20H22Cl2O6/c1-2-6-13-16(8-7-14(21)19(13)22)26-9-4-3-5-10-27-18-12-28-17(20(24)25)11-15(18)23/h7-8,11-12H,2-6,9-10H2,1H3,(H,24,25)