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Substance Name: EINECS 273-657-6
RN: 68991-93-5
InChIKey: GDHFONOAOFSWQN-UHFFFAOYSA-N

Molecular Formula

  • C28-H31-O7-P.2C4-H11-N-O2

Molecular Weight

  • 720.792
 
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Names and Synonyms

Results Name

  • EINECS 273-657-6

Synonym

  • EINECS 273-657-6

Systematic Names

  • 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 (1:2)
  • 4-(3-(4-Hydroxy-5-isopropyl-o-tolyl)-1-oxo-3H-isobenzofuran-3-yl)-6-isopropyl-m-tolyl dihydrogen phosphate, compound with 2-amino-2-methylpropane-1,3-diol (1:2)

Registry Numbers

CAS Registry Number

  • 68991-93-5

System Generated Number

  • 0068991935

Molecular Formulas

Molecular Formula

  • C28-H31-O7-P.2C4-H11-N-O2

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C28H31O7P.2C4H11NO2/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;2*1-4(5,2-6)3-7/h7-16,29H,1-6H3,(H2,31,32,33);2*6-7H,2-3,5H2,1H3

InChIKey

GDHFONOAOFSWQN-UHFFFAOYSA-N

Smiles

c12c([C@@](c3c(C)cc(OP(O)(O)=O)c(C(C)C)c3)(OC2=O)c2cc(c(O)cc2C)C(C)C)cccc1.OCC(CO)(C)N.OCC(CO)(C)N