[(2S,3R,4R)-2-(4-methoxyphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-3-(phenylcarbonyl)cyclohexylidene]-phenyl-methanolate

Systemtic Name: [(2S,3R,4R)-2-(4-methoxyphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-3-(phenylcarbonyl)cyclohexylidene]-phenyl-methanolate Openeye Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-cyclohexylidene]-phenyl-methanolate CAS Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexylidene]-phenylmethanolate IUPAC Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexylidene]-phenylmethanolate Traditional Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-6-keto-2-(4-methoxyphenyl)-4-methyl-cyclohexylidene]-phenyl-methanolate Formula: C28H25O5- MolecularWeight: 441.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=C(C2=CC=CC=C2)[O-])C(C1C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)O

Isomeric SMILES

C[C@]1(CC(=O)C(=C(C2=CC=CC=C2)[O-])[C@@H]([C@H]1C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC)O

InChI

InChI=1S/C28H26O5/c1-28(32)17-22(29)24(26(30)19-9-5-3-6-10-19)23(18-13-15-21(33-2)16-14-18)25(28)27(31)20-11-7-4-8-12-20/h3-16,23,25,30,32H,17H2,1-2H3/p-1/t23-,25-,28+/m0/s1