Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, compd. with 2-amino-2-methyl-1,3-propanediol (1:1)
RN: 52279-66-0
InChIKey: DIYBCCDKXAYQHV-UHFFFAOYSA-N

Molecular Formula

  • C28-H31-O7-P.C4-H11-N-O2

Molecular Weight

  • 615.656
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • EINECS 257-812-5

Systematic Names

  • (3-(4-Hydroxy-5-isopropyl-o-tolyl)-1-oxo-3H-isobenzofuran-3-yl)-6-isopropyl-m-tolylphosphoric acid, compound with 2-amino-2-methylpropane-1,3-diol (1:1)
  • 1(3H)-Isobenzofuranone, 3-(4-hydroxy-2-methyl-5-(1-methylethyl)phenyl)-3-(2-methyl-5-(1-methylethyl)-4-(phosphonooxy)phenyl)-, compd. with 2-amino-2-methyl-1,3-propanediol (1:1)

Registry Numbers

CAS Registry Number

  • 52279-66-0

System Generated Number

  • 0052279660

Molecular Formulas

Molecular Formula

  • C28-H31-O7-P.C4-H11-N-O2

Molecular Formula Fragments

  • C28-H31-O7-P
  • C4-H11-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H31O7P.C4H11NO2/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(30)34-28)24-14-21(16(3)4)26(12-18(24)6)35-36(31,32)33;1-4(5,2-6)3-7/h7-16,29H,1-6H3,(H2,31,32,33);6-7H,2-3,5H2,1H3

InChIKey

DIYBCCDKXAYQHV-UHFFFAOYSA-N

Smiles

OCC(N)(C)CO.P(Oc1c(cc(c(c1)C)[C@@]1(OC(c2c1cccc2)=O)c1c(cc(c(c1)C(C)C)O)C)C(C)C)(=O)(O)O