5-[4-butanoyl-2,3-bis(chloranyl)phenoxy]pentanoic acid

Systemtic Name: 5-[4-butanoyl-2,3-bis(chloranyl)phenoxy]pentanoic acid Openeye Name: 5-(4-butanoyl-2,3-dichloro-phenoxy)pentanoic acid CAS Name: 5-[2,3-dichloro-4-(1-oxobutyl)phenoxy]pentanoic acid IUPAC Name: 5-(4-butanoyl-2,3-dichlorophenoxy)pentanoic acid Traditional Name: 5-(4-butyryl-2,3-dichloro-phenoxy)valeric acid Formula: C15H18Cl2O4 MolecularWeight: 333.20702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C=C1)OCCCCC(=O)O)Cl)Cl

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C=C1)OCCCCC(=O)O)Cl)Cl

InChI

InChI=1S/C15H18Cl2O4/c1-2-5-11(18)10-7-8-12(15(17)14(10)16)21-9-4-3-6-13(19)20/h7-8H,2-6,9H2,1H3,(H,19,20)