2-(5-chloranyl-2-phenyl-1,3-benzodioxol-2-yl)butanoate

Systemtic Name: 2-(5-chloranyl-2-phenyl-1,3-benzodioxol-2-yl)butanoate Openeye Name: 2-(5-chloro-2-phenyl-1,3-benzodioxol-2-yl)butanoate CAS Name: 2-(5-chloro-2-phenyl-1,3-benzodioxol-2-yl)butanoate IUPAC Name: 2-(5-chloro-2-phenyl-1,3-benzodioxol-2-yl)butanoate Traditional Name: 2-(5-chloro-2-phenyl-1,3-benzodioxol-2-yl)butyrate Formula: C17H14ClO4- MolecularWeight: 317.74366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])C1(OC2=C(O1)C=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)[O-])C1(OC2=C(O1)C=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C17H15ClO4/c1-2-13(16(19)20)17(11-6-4-3-5-7-11)21-14-9-8-12(18)10-15(14)22-17/h3-10,13H,2H2,1H3,(H,19,20)/p-1