(E)-6-(3-chloranyl-5-ethanoyl-2-methoxy-6-oxidanyl-phenyl)-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-(3-chloranyl-5-ethanoyl-2-methoxy-6-oxidanyl-phenyl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(3-acetyl-5-chloro-2-hydroxy-6-methoxy-phenyl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(3-acetyl-5-chloro-2-hydroxy-6-methoxyphenyl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(3-acetyl-5-chloro-2-hydroxy-6-methoxyphenyl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(3-acetyl-5-chloro-2-hydroxy-6-methoxy-phenyl)-4-methyl-hex-4-enoic acid Formula: C16H19ClO5 MolecularWeight: 326.77206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClO5/c1-9(5-7-14(19)20)4-6-11-15(21)12(10(2)18)8-13(17)16(11)22-3/h4,8,21H,5-7H2,1-3H3,(H,19,20)/b9-4+