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

Systemtic Name: methyl (E,3S,4R)-6-(4-chloranyl-3-methoxy-phenyl)-4-methoxy-3-methyl-hex-5-enoate Openeye Name: methyl (E,3S,4R)-6-(4-chloro-3-methoxy-phenyl)-4-methoxy-3-methyl-hex-5-enoate CAS Name: (E,3S,4R)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-3-methyl-5-hexenoic acid methyl ester IUPAC Name: methyl (E,3S,4R)-6-(4-chloro-3-methoxyphenyl)-4-methoxy-3-methylhex-5-enoate Traditional Name: (E,3S,4R)-6-(4-chloro-3-methoxy-phenyl)-4-methoxy-3-methyl-hex-5-enoic acid methyl ester Formula: C16H21ClO4 MolecularWeight: 312.78854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClO4/c1-11(9-16(18)21-4)14(19-2)8-6-12-5-7-13(17)15(10-12)20-3/h5-8,10-11,14H,9H2,1-4H3/b8-6+/t11-,14-/m0/s1