5-oxidanylpentyl 3-chloranyl-4-oxidanyl-benzoate

Systemtic Name: 5-oxidanylpentyl 3-chloranyl-4-oxidanyl-benzoate Openeye Name: 5-hydroxypentyl 3-chloro-4-hydroxy-benzoate CAS Name: 3-chloro-4-hydroxybenzoic acid 5-hydroxypentyl ester IUPAC Name: 5-hydroxypentyl 3-chloro-4-hydroxybenzoate Traditional Name: 3-chloro-4-hydroxy-benzoic acid 5-hydroxypentyl ester Formula: C12H15ClO4 MolecularWeight: 258.6981

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)OCCCCCO)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)OCCCCCO)Cl)O

InChI

InChI=1S/C12H15ClO4/c13-10-8-9(4-5-11(10)15)12(16)17-7-3-1-2-6-14/h4-5,8,14-15H,1-3,6-7H2