(2E,6S)-2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylidene]-6-methyl-cyclohexan-1-one

Systemtic Name: (2E,6S)-2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylidene]-6-methyl-cyclohexan-1-one Openeye Name: (2E,6S)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylene]-6-methyl-cyclohexanone CAS Name: (2E,6S)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylidene]-6-methyl-1-cyclohexanone IUPAC Name: (2E,6S)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylidene]-6-methylcyclohexan-1-one Traditional Name: (2E,6S)-2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylene]-6-methyl-cyclohexanone Formula: C16H17ClO3 MolecularWeight: 292.75738

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC3=C(C(=C2)Cl)OCCO3)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC3=C(C(=C2)Cl)OCCO3)/C1=O

InChI

InChI=1S/C16H17ClO3/c1-10-3-2-4-12(15(10)18)7-11-8-13(17)16-14(9-11)19-5-6-20-16/h7-10H,2-6H2,1H3/b12-7+/t10-/m0/s1