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Product Overview

Product Code

TRC-X750930

CAS Number

111072-31-2

Product Format

Neat

Molecular Formula

C22 H16 N7 Na O13 S2

Molecular Weight

673.521

Product Categories

TRC

Product Type

Synthesis tool

Documentation

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Product Information

Chemical Data

Analyte Name

[4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrophenyl]sulfonyloxysodium

CAS Number

111072-31-2

Molecular Formula

C22 H16 N7 Na O13 S2

Molecular Weight

673.521

Accurate Mass

673.015

SMILES

COc1cc(c(cc1[n+]2nc(nn2c3cc(c(cc3OC)[N+](=O)[O-])S(=O)(=O)O[Na])C(=O)Nc4ccccc4)S(=O)(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N7O13S2.Na/c1-41-17-8-15(28(31)32)19(43(35,36)37)10-13(17)26-24-21(22(30)23-12-6-4-3-5-7-12)25-27(26)14-11-20(44(38,39)40)16(29(33)34)9-18(14)42-2;/h3-11H,1-2H3,(H2-,23,30,35,36,37,38,39,40);/q;+1/p-1

IUPAC

[4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrophenyl]sulfonyloxysodium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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