methyl 5-chloranyl-4-methoxy-2-oxidanyl-3-prop-2-enyl-benzoate

Systemtic Name: methyl 5-chloranyl-4-methoxy-2-oxidanyl-3-prop-2-enyl-benzoate Openeye Name: methyl 3-allyl-5-chloro-2-hydroxy-4-methoxy-benzoate CAS Name: 5-chloro-2-hydroxy-4-methoxy-3-prop-2-enylbenzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-hydroxy-4-methoxy-3-prop-2-enylbenzoate Traditional Name: 3-allyl-5-chloro-2-hydroxy-4-methoxy-benzoic acid methyl ester Formula: C12H13ClO4 MolecularWeight: 256.68222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1CC=C)O)C(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C(=C1CC=C)O)C(=O)OC)Cl

InChI

InChI=1S/C12H13ClO4/c1-4-5-7-10(14)8(12(15)17-3)6-9(13)11(7)16-2/h4,6,14H,1,5H2,2-3H3