(E)-4-(4-chloranyl-2,5-dimethoxy-phenyl)-3-ethoxycarbonyl-2-methyl-but-3-enoic acid

Systemtic Name: (E)-4-(4-chloranyl-2,5-dimethoxy-phenyl)-3-ethoxycarbonyl-2-methyl-but-3-enoic acid Openeye Name: (E)-4-(4-chloro-2,5-dimethoxy-phenyl)-3-ethoxycarbonyl-2-methyl-but-3-enoic acid CAS Name: (E)-4-(4-chloro-2,5-dimethoxyphenyl)-3-ethoxycarbonyl-2-methyl-3-butenoic acid IUPAC Name: (E)-4-(4-chloro-2,5-dimethoxyphenyl)-3-ethoxycarbonyl-2-methylbut-3-enoic acid Traditional Name: (E)-3-carbethoxy-4-(4-chloro-2,5-dimethoxy-phenyl)-2-methyl-but-3-enoic acid Formula: C16H19ClO6 MolecularWeight: 342.77146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1OC)Cl)OC)C(C)C(=O)O

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1OC)Cl)OC)/C(C)C(=O)O

InChI

InChI=1S/C16H19ClO6/c1-5-23-16(20)11(9(2)15(18)19)6-10-7-14(22-4)12(17)8-13(10)21-3/h6-9H,5H2,1-4H3,(H,18,19)/b11-6+