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

Systemtic Name: [(2R,3S,4S)-2-(4-bromophenyl)-4-methyl-4-oxidanyl-6-oxidanylidene-3-(phenylcarbonyl)cyclohexylidene]-phenyl-methanolate Openeye Name: [(2R,3S,4S)-3-benzoyl-2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxo-cyclohexylidene]-phenyl-methanolate CAS Name: [(2R,3S,4S)-3-benzoyl-2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexylidene]-phenylmethanolate IUPAC Name: [(2R,3S,4S)-3-benzoyl-2-(4-bromophenyl)-4-hydroxy-4-methyl-6-oxocyclohexylidene]-phenylmethanolate Traditional Name: [(2R,3S,4S)-3-benzoyl-2-(4-bromophenyl)-4-hydroxy-6-keto-4-methyl-cyclohexylidene]-phenyl-methanolate Formula: C27H22BrO4- MolecularWeight: 490.36518

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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)Br)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)Br)O

InChI

InChI=1S/C27H23BrO4/c1-27(32)16-21(29)23(25(30)18-8-4-2-5-9-18)22(17-12-14-20(28)15-13-17)24(27)26(31)19-10-6-3-7-11-19/h2-15,22,24,30,32H,16H2,1H3/p-1/t22-,24-,27+/m1/s1