(Q27196756)

5-(4-chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione (English)

11 October 2016

chemical formula

C₁₉H₁₇ClO₄S

1 reference

5-(4-chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione (English)

11 October 2016

canonical SMILES

C1C(CC(=O)C(C1=O)CS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl

1 reference

5-(4-chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione (English)

InChI=1S/C19H17ClO4S/c20-15-8-6-13(7-9-15)14-10-18(21)17(19(22)11-14)12-25(23,24)16-4-2-1-3-5-16/h1-9,14,17H,10-12H2

11 October 2016

Identifiers

InChI

1 reference

5-(4-chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione (English)

FSHIPBXJKASDDF-UHFFFAOYSA-N

11 October 2016

InChIKey

2 references

5-(4-chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5-(4-Chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione (English)

11 October 2016

1 reference

5-(4-Chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione (English)

11 October 2016

1 reference

5-(4-chlorophenyl)-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione (English)

11 October 2016

ChEBI ID

114913

mapping relation type

1 reference

2-(benzenesulfonylmethyl)-5-(4-chlorophenyl)cyclohexane-1,3-dione (English)

11 October 2016

1 reference