(5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-chloranyl-4-methoxy-3-methyl-benzoate

Systemtic Name: (5,5-dimethyl-3-oxidanylidene-cyclohexen-1-yl) 2-chloranyl-4-methoxy-3-methyl-benzoate Openeye Name: (5,5-dimethyl-3-oxo-cyclohexen-1-yl) 2-chloro-4-methoxy-3-methyl-benzoate CAS Name: 2-chloro-4-methoxy-3-methylbenzoic acid (5,5-dimethyl-3-oxo-1-cyclohexenyl) ester IUPAC Name: (5,5-dimethyl-3-oxocyclohexen-1-yl) 2-chloro-4-methoxy-3-methylbenzoate Traditional Name: 2-chloro-4-methoxy-3-methyl-benzoic acid (3-keto-5,5-dimethyl-cyclohexen-1-yl) ester Formula: C17H19ClO4 MolecularWeight: 322.78336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1Cl)C(=O)OC2=CC(=O)CC(C2)(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1Cl)C(=O)OC2=CC(=O)CC(C2)(C)C)OC

InChI

InChI=1S/C17H19ClO4/c1-10-14(21-4)6-5-13(15(10)18)16(20)22-12-7-11(19)8-17(2,3)9-12/h5-7H,8-9H2,1-4H3