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

Systemtic Name: [(2S,3R,4R)-4-methyl-2-(4-methylphenyl)-4-oxidanyl-6-oxidanylidene-3-(phenylcarbonyl)cyclohexylidene]-phenyl-methanolate Openeye Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-4-methyl-6-oxo-2-(p-tolyl)cyclohexylidene]-phenyl-methanolate CAS Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexylidene]-phenylmethanolate IUPAC Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-4-methyl-2-(4-methylphenyl)-6-oxocyclohexylidene]-phenylmethanolate Traditional Name: [(2S,3R,4R)-3-benzoyl-4-hydroxy-6-keto-4-methyl-2-(p-tolyl)cyclohexylidene]-phenyl-methanolate Formula: C28H25O4- MolecularWeight: 425.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C28H26O4/c1-18-13-15-19(16-14-18)23-24(26(30)20-9-5-3-6-10-20)22(29)17-28(2,32)25(23)27(31)21-11-7-4-8-12-21/h3-16,23,25,30,32H,17H2,1-2H3/p-1/t23-,25-,28+/m0/s1