(2S,5R)-4-[methoxy(oxidanyl)methylidene]-2-pentanoyl-5-phenyl-cyclohexane-1,3-dione

Systemtic Name: (2S,5R)-4-[methoxy(oxidanyl)methylidene]-2-pentanoyl-5-phenyl-cyclohexane-1,3-dione Openeye Name: (2S,5R)-4-[hydroxy(methoxy)methylene]-2-pentanoyl-5-phenyl-cyclohexane-1,3-dione CAS Name: (2S,5R)-4-[hydroxy(methoxy)methylidene]-2-(1-oxopentyl)-5-phenylcyclohexane-1,3-dione IUPAC Name: (2S,5R)-4-[hydroxy(methoxy)methylidene]-2-pentanoyl-5-phenylcyclohexane-1,3-dione Traditional Name: (2S,5R)-4-[hydroxy(methoxy)methylene]-5-phenyl-2-valeryl-cyclohexane-1,3-quinone Formula: C19H22O5 MolecularWeight: 330.37498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1C(=O)CC(C(=C(O)OC)C1=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(=O)[C@H]1C(=O)C[C@@H](C(=C(O)OC)C1=O)C2=CC=CC=C2

InChI

InChI=1S/C19H22O5/c1-3-4-10-14(20)17-15(21)11-13(12-8-6-5-7-9-12)16(18(17)22)19(23)24-2/h5-9,13,17,23H,3-4,10-11H2,1-2H3/t13-,17+/m1/s1