2-[2-(6-chloranylhexyl)phenyl]ethanoate

Systemtic Name: 2-[2-(6-chloranylhexyl)phenyl]ethanoate Openeye Name: 2-[2-(6-chlorohexyl)phenyl]acetate CAS Name: 2-[2-(6-chlorohexyl)phenyl]acetate IUPAC Name: 2-[2-(6-chlorohexyl)phenyl]acetate Traditional Name: 2-[2-(6-chlorohexyl)phenyl]acetate Formula: C14H18ClO2- MolecularWeight: 253.74452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCCCCl)CC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CCCCCCCl)CC(=O)[O-]

InChI

InChI=1S/C14H19ClO2/c15-10-6-2-1-3-7-12-8-4-5-9-13(12)11-14(16)17/h4-5,8-9H,1-3,6-7,10-11H2,(H,16,17)/p-1