(2E,6S)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-6-methyl-cyclohexan-1-one

Systemtic Name: (2E,6S)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-6-methyl-cyclohexan-1-one Openeye Name: (2E,6S)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-6-methyl-cyclohexanone CAS Name: (2E,6S)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-6-methyl-1-cyclohexanone IUPAC Name: (2E,6S)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylidene]-6-methylcyclohexan-1-one Traditional Name: (2E,6S)-2-[(7-methoxy-1,3-benzodioxol-5-yl)methylene]-6-methyl-cyclohexanone Formula: C16H18O4 MolecularWeight: 274.31172

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC3=C(C(=C2)OC)OCO3)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC3=C(C(=C2)OC)OCO3)/C1=O

InChI

InChI=1S/C16H18O4/c1-10-4-3-5-12(15(10)17)6-11-7-13(18-2)16-14(8-11)19-9-20-16/h6-8,10H,3-5,9H2,1-2H3/b12-6+/t10-/m0/s1