disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (Q27261426)

Disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (English)

14 October 2016

chemical formula

C₁₅H₂₀Na₂O₅

1 reference

Disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (English)

14 October 2016

canonical SMILES

CC1CC(C(=O)C(=CCC(CC(=O)[O-])CC(=O)[O-])C1)C.[Na+].[Na+]

1 reference

Disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (English)

InChI=1S/C15H22O5.2Na/c1-9-5-10(2)15(20)12(6-9)4-3-11(7-13(16)17)8-14(18)19;;/h4,9-11H,3,5-8H2,1-2H3,(H,16,17)(H,18,19);;/q;2*+1/p-2

14 October 2016

Identifiers

InChI

1 reference

Disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (English)

WQJHIUAAKZSFBR-UHFFFAOYSA-L

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (English)

14 October 2016

1 reference

UNII

56RHO53C5W

disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (English)

14 October 2016

1 reference

Disodium 3-[2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl]pentanedioate (English)

14 October 2016

1 reference

DSSTOX compound identifier

Disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (English)

14 October 2016

1 reference

0 references

DTXCID201326548

0 references

PesticideInfo chemical ID

0 references

2 references

Global Substance Registration System

UNII

56RHO53C5W

disodium 3-(2-(3,5-dimethyl-2-oxocyclohexylidene)ethyl)pentanedioate (English)