3-(2-adamantylidene)-6-[(4-chlorophenyl)sulfonylmethyl]-6-methyl-1,2,4-trioxane

Systemtic Name: 3-(2-adamantylidene)-6-[(4-chlorophenyl)sulfonylmethyl]-6-methyl-1,2,4-trioxane Openeye Name: 3-(2-adamantylidene)-6-[(4-chlorophenyl)sulfonylmethyl]-6-methyl-1,2,4-trioxane CAS Name: 3-(2-adamantylidene)-6-[(4-chlorophenyl)sulfonylmethyl]-6-methyl-1,2,4-trioxane IUPAC Name: 3-(2-adamantylidene)-6-[(4-chlorophenyl)sulfonylmethyl]-6-methyl-1,2,4-trioxane Traditional Name: 3-(2-adamantylidene)-6-[(4-chlorophenyl)sulfonylmethyl]-6-methyl-1,2,4-trioxane Formula: C21H25ClO5S MolecularWeight: 424.9382

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(=C2C3CC4CC(C3)CC2C4)OO1)CS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1(COC(=C2C3CC4CC(C3)CC2C4)OO1)CS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H25ClO5S/c1-21(12-28(23,24)18-4-2-17(22)3-5-18)11-25-20(26-27-21)19-15-7-13-6-14(9-15)10-16(19)8-13/h2-5,13-16H,6-12H2,1H3