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

Systemtic Name: (E)-6-(5-chloranyl-2-methoxy-3,4-dimethyl-6-oxidanyl-phenyl)-4-methyl-hex-4-enoic acid Openeye Name: (E)-6-(3-chloro-2-hydroxy-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid CAS Name: (E)-6-(3-chloro-2-hydroxy-6-methoxy-4,5-dimethylphenyl)-4-methyl-4-hexenoic acid IUPAC Name: (E)-6-(3-chloro-2-hydroxy-6-methoxy-4,5-dimethylphenyl)-4-methylhex-4-enoic acid Traditional Name: (E)-6-(3-chloro-2-hydroxy-6-methoxy-4,5-dimethyl-phenyl)-4-methyl-hex-4-enoic acid Formula: C16H21ClO4 MolecularWeight: 312.78854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClO4/c1-9(6-8-13(18)19)5-7-12-15(20)14(17)10(2)11(3)16(12)21-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+