3-[2-chloranyl-3-methyl-5-[(2E)-penta-2,4-dienyl]sulfonyl-phenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[2-chloranyl-3-methyl-5-[(2E)-penta-2,4-dienyl]sulfonyl-phenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Openeye Name: 3-[2-chloro-3-methyl-5-[(2E)-penta-2,4-dienyl]sulfonyl-phenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one CAS Name: 3-[2-chloro-3-methyl-5-[(2E)-penta-2,4-dienyl]sulfonylphenyl]-2,4,4-trimethyl-1-cyclohex-2-enone IUPAC Name: 3-[2-chloro-3-methyl-5-[(2E)-penta-2,4-dienyl]sulfonylphenyl]-2,4,4-trimethylcyclohex-2-en-1-one Traditional Name: 3-[2-chloro-3-methyl-5-[(2E)-penta-2,4-dienyl]sulfonyl-phenyl]-2,4,4-trimethyl-cyclohex-2-en-1-one Formula: C21H25ClO3S MolecularWeight: 392.9394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)S(=O)(=O)CC=CC=C)C2=C(C(=O)CCC2(C)C)C)Cl

Isomeric SMILES

CC1=C(C(=CC(=C1)S(=O)(=O)C/C=C/C=C)C2=C(C(=O)CCC2(C)C)C)Cl

InChI

InChI=1S/C21H25ClO3S/c1-6-7-8-11-26(24,25)16-12-14(2)20(22)17(13-16)19-15(3)18(23)9-10-21(19,4)5/h6-8,12-13H,1,9-11H2,2-5H3/b8-7+