TRIS(3-METHYL-4-NITROPHENYL) PHOSPHATE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H18N3O10P
Molecular Weight	503.3555
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIS(3-METHYL-4-NITROPHENYL) PHOSPHATE

Structure Search

SMILES

CC1=C(C=CC(OP(=O)(OC2=CC(C)=C(C=C2)[N+]([O-])=O)OC3=CC(C)=C(C=C3)[N+]([O-])=O)=C1)[N+]([O-])=O

InChI

InChIKey=SNIKDGGXGSYRMO-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

TRIS(3-METHYL-4-NITROPHENYL) PHOSPHATE

Systematic Name

English

PHENOL, 3-METHYL-4-NITRO-, 1,1',1''-(PHOSPHATE)

Systematic Name

English

PHENOL, 3-METHYL-4-NITRO-, PHOSPHATE (3:1) (ESTER)

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

271-291-1

Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023

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CAS

68527-98-0

Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023

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PUBCHEM

110475

Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023

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EPA CompTox

DTXSID0071621

Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023

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FDA UNII

EBP4X88WUL

Created by admin on Sat Dec 16 12:20:47 GMT 2023 , Edited by admin on Sat Dec 16 12:20:47 GMT 2023

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SUBSTANCE RECORD


					EBP4X88WUL

TRIS(3-METHYL-4-NITROPHENYL) PHOSPHATE