Phenol, 3-methyl-4-nitro-, 1,1′,1′′-(phosphate)
CAS Registry Number®
68527-98-0
CAS Name
Phenol, 3-methyl-4-nitro-, 1,1′,1′′-(phosphate)Molecular Formula
C21H18N3O10PMolecular Mass
503.36Cite 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 ) (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
