methyl 5-chloranyl-4-methoxy-3-[(E)-3-methyl-4-oxidanylidene-but-2-enyl]-2-oxidanyl-benzoate

Systemtic Name: methyl 5-chloranyl-4-methoxy-3-[(E)-3-methyl-4-oxidanylidene-but-2-enyl]-2-oxidanyl-benzoate Openeye Name: methyl 5-chloro-2-hydroxy-4-methoxy-3-[(E)-3-methyl-4-oxo-but-2-enyl]benzoate CAS Name: 5-chloro-2-hydroxy-4-methoxy-3-[(E)-3-methyl-4-oxobut-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-hydroxy-4-methoxy-3-[(E)-3-methyl-4-oxobut-2-enyl]benzoate Traditional Name: 5-chloro-2-hydroxy-3-[(E)-4-keto-3-methyl-but-2-enyl]-4-methoxy-benzoic acid methyl ester Formula: C14H15ClO5 MolecularWeight: 298.7189

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C(=CC(=C1OC)Cl)C(=O)OC)O)C=O

Isomeric SMILES

C/C(=C\CC1=C(C(=CC(=C1OC)Cl)C(=O)OC)O)/C=O

InChI

InChI=1S/C14H15ClO5/c1-8(7-16)4-5-9-12(17)10(14(18)20-3)6-11(15)13(9)19-2/h4,6-7,17H,5H2,1-3H3/b8-4+