(E)-6-(2-chloranyl-3-cyano-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid

Systemtic Name: (E)-6-(2-chloranyl-3-cyano-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(2-chloro-3-cyano-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(2-chloro-3-cyano-6-methoxy-4,5-dimethylphenyl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(2-chloro-3-cyano-6-methoxy-4,5-dimethylphenyl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(2-chloro-3-cyano-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid Formula: C17H20ClNO3 MolecularWeight: 321.7986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)OC)CC=C(C)CCC(=O)O)Cl)C#N

Isomeric SMILES

CC1=C(C(=C(C(=C1C)OC)C/C=C(\C)/CCC(=O)O)Cl)C#N

InChI

InChI=1S/C17H20ClNO3/c1-10(6-8-15(20)21)5-7-13-16(18)14(9-19)11(2)12(3)17(13)22-4/h5H,6-8H2,1-4H3,(H,20,21)/b10-5+