(E,3S,4R)-6-(4-chloranyl-3-methoxy-phenyl)-4-methoxy-3-methyl-hex-5-enoic acid

Systemtic Name: (E,3S,4R)-6-(4-chloranyl-3-methoxy-phenyl)-4-methoxy-3-methyl-hex-5-enoic acid Openeye Name: (E,3S,4R)-6-(4-chloro-3-methoxy-phenyl)-4-methoxy-3-methyl-hex-5-enoic acid CAS Name: (E,3S,4R)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-3-methyl-5-hexenoic acid IUPAC Name: (E,3S,4R)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-3-methylhex-5-enoic acid Traditional Name: (E,3S,4R)-6-(4-chloro-3-methoxy-phenyl)-4-methoxy-3-methyl-hex-5-enoic acid Formula: C15H19ClO4 MolecularWeight: 298.76196

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(C=CC1=CC(=C(C=C1)Cl)OC)OC

Isomeric SMILES

C[C@@H](CC(=O)O)[C@H](/C=C/C1=CC(=C(C=C1)Cl)OC)OC

InChI

InChI=1S/C15H19ClO4/c1-10(8-15(17)18)13(19-2)7-5-11-4-6-12(16)14(9-11)20-3/h4-7,9-10,13H,8H2,1-3H3,(H,17,18)/b7-5+/t10-,13-/m0/s1