8-[3-(m-Aminobenzamido)-p-toluamido]-1,3,5-naphthalenetrisulfonic Acid Trisodium Salt

Analyte Name

8-[3-(m-Aminobenzamido)-p-toluamido]-1,3,5-naphthalenetrisulfonic Acid Trisodium Salt

CAS Number

17804-51-2

Molecular Formula

C25 H18 N3 Na3 O11 S3

Molecular Weight

701.588

Accurate Mass

700.98

SMILES

Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)S(=O)(=O)O[Na])S(=O)(=O)O[Na])S(=O)(=O)O[Na]

InChI

InChI=1S/C25H21N3O11S3.3Na/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39;;;/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39);;;/q;3*+1/p-3

IUPAC

[4-[[3-[(3-aminobenzoyl)amino]-4-methylbenzoyl]amino]-5,7-bis(sodiooxysulfonyl)naphthalen-1-yl]sulfonyloxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat