(2E,6S)-2-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-6-methyl-cyclohexan-1-one

Systemtic Name: (2E,6S)-2-[(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-6-methyl-cyclohexan-1-one Openeye Name: (2E,6S)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-6-methyl-cyclohexanone CAS Name: (2E,6S)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-6-methyl-1-cyclohexanone IUPAC Name: (2E,6S)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-6-methylcyclohexan-1-one Traditional Name: (2E,6S)-2-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)-6-methyl-cyclohexanone Formula: C18H19ClO3 MolecularWeight: 318.79466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=CC2=CC(=C(C(=C2)Cl)OCC#C)OC)C1=O

Isomeric SMILES

C[C@H]1CCC/C(=C\C2=CC(=C(C(=C2)Cl)OCC#C)OC)/C1=O

InChI

InChI=1S/C18H19ClO3/c1-4-8-22-18-15(19)10-13(11-16(18)21-3)9-14-7-5-6-12(2)17(14)20/h1,9-12H,5-8H2,2-3H3/b14-9+/t12-/m0/s1