Phenol, 3-methyl-4-nitro-, 1,1′,1′′-(phosphate)

CAS Registry Number®

68527-98-0
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CAS Name

Phenol, 3-methyl-4-nitro-, 1,1′,1′′-(phosphate)

Molecular Formula

C21H18N3O10P

Molecular Mass

503.36

Cite this Page

Phenol, 3-methyl-4-nitro-, 1,1′,1′′-(phosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=68527-98-0 (retrieved 2024-07-02) (CAS RN: 68527-98-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H18N3O10P/c1-13-10-16(4-7-19(13)22(25)26)32-35(31,33-17-5-8-20(23(27)28)14(2)11-17)34-18-6-9-21(24(29)30)15(3)12-18/h4-12H,1-3H3

InChIKey

InChIKey=SNIKDGGXGSYRMO-UHFFFAOYSA-N

SMILES

P(OC1=CC(C)=C(N(=O)=O)C=C1)(OC2=CC(C)=C(N(=O)=O)C=C2)(OC3=CC(C)=C(N(=O)=O)C=C3)=O

Canonical SMILES

O=N(=O)C1=CC=C(OP(=O)(OC2=CC=C(C(=C2)C)N(=O)=O)OC3=CC=C(C(=C3)C)N(=O)=O)C=C1C

Other Names for this Substance

  • Phenol, 3-methyl-4-nitro-, 1,1′,1′′-(phosphate)
  • Phenol, 3-methyl-4-nitro-, phosphate (3:1) (ester)
  • Tris(3-methyl-4-nitrophenyl) phosphate