Catalog Number:
AG00ILLH
Chemical Name:
XTT sodium salt
CAS Number:
111072-31-2
Molecular Formula:
C22H16N7NaO13S2
Molecular Weight:
673.5213
MDL Number:
MFCD00191206
IUPAC Name:
sodium;4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrobenzenesulfonate
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
InChI Key:
JACYMBNQPPWQML-UHFFFAOYSA-M
SMILES:
COc1cc([N+](=O)[O-])c(cc1[n+]1nc(nn1c1cc(c(cc1OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)Nc1ccccc1)S(=O)(=O)[O-].[Na+]
EC Number:
601-039-1
