methyl 3-chloranyl-4-oxidanyl-5-propyl-benzoate

Systemtic Name: methyl 3-chloranyl-4-oxidanyl-5-propyl-benzoate Openeye Name: methyl 3-chloro-4-hydroxy-5-propyl-benzoate CAS Name: 3-chloro-4-hydroxy-5-propylbenzoic acid methyl ester IUPAC Name: methyl 3-chloro-4-hydroxy-5-propylbenzoate Traditional Name: 3-chloro-4-hydroxy-5-propyl-benzoic acid methyl ester Formula: C11H13ClO3 MolecularWeight: 228.67212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)OC)Cl)O

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)OC)Cl)O

InChI

InChI=1S/C11H13ClO3/c1-3-4-7-5-8(11(14)15-2)6-9(12)10(7)13/h5-6,13H,3-4H2,1-2H3