(6R)-2-cyclohexylidene-6-[[(1R)-3-cyclohexylidene-2-oxidanylidene-cyclohexyl]methyl]cyclohexan-1-one hydrate

Systemtic Name: (6R)-2-cyclohexylidene-6-[[(1R)-3-cyclohexylidene-2-oxidanylidene-cyclohexyl]methyl]cyclohexan-1-one hydrate Openeye Name: (6R)-2-cyclohexylidene-6-[[(1R)-3-cyclohexylidene-2-oxo-cyclohexyl]methyl]cyclohexanone hydrate CAS Name: (6R)-2-cyclohexylidene-6-[[(1R)-3-cyclohexylidene-2-oxocyclohexyl]methyl]-1-cyclohexanone hydrate IUPAC Name: (6R)-2-cyclohexylidene-6-[[(1R)-3-cyclohexylidene-2-oxocyclohexyl]methyl]cyclohexan-1-one hydrate Traditional Name: (6R)-2-cyclohexylidene-6-[[(1R)-3-cyclohexylidene-2-keto-cyclohexyl]methyl]cyclohexanone hydrate Formula: C25H38O3 MolecularWeight: 386.56742

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2CCCC(C2=O)CC3CCCC(=C4CCCCC4)C3=O)CC1.O

Isomeric SMILES

C1CCC(=C2CCC[C@@H](C2=O)C[C@H]3CCCC(=C4CCCCC4)C3=O)CC1.O

InChI

InChI=1S/C25H36O2.H2O/c26-24-20(13-7-15-22(24)18-9-3-1-4-10-18)17-21-14-8-16-23(25(21)27)19-11-5-2-6-12-19;/h20-21H,1-17H2;1H2/t20-,21-;/m1./s1