methyl 5-chloranyl-2-[(1E,3E)-5-oxidanylpenta-1,3-dienyl]benzoate

Systemtic Name: methyl 5-chloranyl-2-[(1E,3E)-5-oxidanylpenta-1,3-dienyl]benzoate Openeye Name: methyl 5-chloro-2-[(1E,3E)-5-hydroxypenta-1,3-dienyl]benzoate CAS Name: 5-chloro-2-[(1E,3E)-5-hydroxypenta-1,3-dienyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(1E,3E)-5-hydroxypenta-1,3-dienyl]benzoate Traditional Name: 5-chloro-2-[(1E,3E)-5-hydroxypenta-1,3-dienyl]benzoic acid methyl ester Formula: C13H13ClO3 MolecularWeight: 252.69352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)Cl)C=CC=CCO

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)Cl)/C=C/C=C/CO

InChI

InChI=1S/C13H13ClO3/c1-17-13(16)12-9-11(14)7-6-10(12)5-3-2-4-8-15/h2-7,9,15H,8H2,1H3/b4-2+,5-3+