(2-ethyl-5-methanoyl-1,3-dimethyl-6-oxidanyl-7-bicyclo[4.2.0]oct-4-enyl) 3-chloranyl-4-methoxy-2-methyl-6-oxidanyl-benzoate

Systemtic Name: (2-ethyl-5-methanoyl-1,3-dimethyl-6-oxidanyl-7-bicyclo[4.2.0]oct-4-enyl) 3-chloranyl-4-methoxy-2-methyl-6-oxidanyl-benzoate Openeye Name: (2-ethyl-5-formyl-6-hydroxy-1,3-dimethyl-7-bicyclo[4.2.0]oct-4-enyl) 3-chloro-6-hydroxy-4-methoxy-2-methyl-benzoate CAS Name: 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoic acid (2-ethyl-5-formyl-6-hydroxy-1,3-dimethyl-7-bicyclo[4.2.0]oct-4-enyl) ester IUPAC Name: (2-ethyl-5-formyl-6-hydroxy-1,3-dimethyl-7-bicyclo[4.2.0]oct-4-enyl) 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate Traditional Name: 3-chloro-6-hydroxy-4-methoxy-2-methyl-benzoic acid (2-ethyl-5-formyl-6-hydroxy-1,3-dimethyl-7-bicyclo[4.2.0]oct-4-enyl) ester Formula: C22H27ClO6 MolecularWeight: 422.89918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(C=C(C2(C1(CC2OC(=O)C3=C(C(=C(C=C3O)OC)Cl)C)C)O)C=O)C

Isomeric SMILES

CCC1C(C=C(C2(C1(CC2OC(=O)C3=C(C(=C(C=C3O)OC)Cl)C)C)O)C=O)C

InChI

InChI=1S/C22H27ClO6/c1-6-14-11(2)7-13(10-24)22(27)17(9-21(14,22)4)29-20(26)18-12(3)19(23)16(28-5)8-15(18)25/h7-8,10-11,14,17,25,27H,6,9H2,1-5H3