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

Systemtic Name: [(2S,3R,4R)-2-(4-ethoxyphenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-3-(phenylcarbonyl)cyclohexylidene]-phenyl-methanolate Openeye Name: [(2S,3R,4R)-3-benzoyl-2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexylidene]-phenyl-methanolate CAS Name: [(2S,3R,4R)-3-benzoyl-2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexylidene]-phenylmethanolate IUPAC Name: [(2S,3R,4R)-3-benzoyl-2-(4-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexylidene]-phenylmethanolate Traditional Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-6-keto-4-methyl-2-p-phenetyl-cyclohexylidene]-phenyl-methanolate Formula: C29H27O5- MolecularWeight: 455.52168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(C(CC(=O)C2=C(C3=CC=CC=C3)[O-])(C)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H]2[C@H]([C@](CC(=O)C2=C(C3=CC=CC=C3)[O-])(C)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H28O5/c1-3-34-22-16-14-19(15-17-22)24-25(27(31)20-10-6-4-7-11-20)23(30)18-29(2,33)26(24)28(32)21-12-8-5-9-13-21/h4-17,24,26,31,33H,3,18H2,1-2H3/p-1/t24-,26-,29+/m0/s1