Analyte Name

Acid Orange 3 (13C6)

Molecular Formula

13C6 C12 H13 N4 Na O7 S

Molecular Weight

458.329

Accurate Mass

458.06

SMILES

[O-][N+](=O)[13c]1[13cH][13cH][13c](Nc2ccc(Nc3ccccc3)c(c2)S(=O)(=O)O[Na])[13c]([13cH]1)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O7S.Na/c23-21(24)14-7-9-15(17(11-14)22(25)26)20-13-6-8-16(18(10-13)30(27,28)29)19-12-4-2-1-3-5-12;/h1-11,19-20H,(H,27,28,29);/q;+1/p-1/i7+1,9+1,11+1,14+1,15+1,17+1;

IUPAC

[2-anilino-5-[(4,6-dinitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)amino]phenyl]sulfonyloxysodium

Unlabelled CAS Number

6373-74-6

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat