[(3S,6R)-2,4-bis(oxidanylidene)-3-pentanoyl-6-phenyl-cyclohexylidene]-methoxy-methanolate

Systemtic Name: [(3S,6R)-2,4-bis(oxidanylidene)-3-pentanoyl-6-phenyl-cyclohexylidene]-methoxy-methanolate Openeye Name: [(3S,6R)-2,4-dioxo-3-pentanoyl-6-phenyl-cyclohexylidene]-methoxy-methanolate CAS Name: [(3S,6R)-2,4-dioxo-3-(1-oxopentyl)-6-phenylcyclohexylidene]-methoxymethanolate IUPAC Name: [(3S,6R)-2,4-dioxo-3-pentanoyl-6-phenylcyclohexylidene]-methoxymethanolate Traditional Name: [(3S,6R)-2,4-diketo-6-phenyl-3-valeryl-cyclohexylidene]-methoxy-methanolate Formula: C19H21O5- MolecularWeight: 329.36704

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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/p-1/t13-,17+/m1/s1