4-butoxy-3-chloranyl-5-methoxy-benzoate

Systemtic Name: 4-butoxy-3-chloranyl-5-methoxy-benzoate Openeye Name: 4-butoxy-3-chloro-5-methoxy-benzoate CAS Name: 4-butoxy-3-chloro-5-methoxybenzoate IUPAC Name: 4-butoxy-3-chloro-5-methoxybenzoate Traditional Name: 4-butoxy-3-chloro-5-methoxy-benzoate Formula: C12H14ClO4- MolecularWeight: 257.69016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C(=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)C(=O)[O-])OC

InChI

InChI=1S/C12H15ClO4/c1-3-4-5-17-11-9(13)6-8(12(14)15)7-10(11)16-2/h6-7H,3-5H2,1-2H3,(H,14,15)/p-1