methyl 5-chloranyl-2-[(E)-4-oxidanylbut-3-en-2-yl]benzoate

Systemtic Name: methyl 5-chloranyl-2-[(E)-4-oxidanylbut-3-en-2-yl]benzoate Openeye Name: methyl 5-chloro-2-[(E)-3-hydroxy-1-methyl-allyl]benzoate CAS Name: 5-chloro-2-[(E)-4-hydroxybut-3-en-2-yl]benzoic acid methyl ester IUPAC Name: methyl 5-chloro-2-[(E)-4-hydroxybut-3-en-2-yl]benzoate Traditional Name: 5-chloro-2-[(E)-3-hydroxy-1-methyl-allyl]benzoic acid methyl ester Formula: C12H13ClO3 MolecularWeight: 240.68282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClO3/c1-8(5-6-14)10-4-3-9(13)7-11(10)12(15)16-2/h3-8,14H,1-2H3/b6-5+