Products 111072-31-2

CAS 111072-31-2 appears in our catalog under these names: XTT Sodium Salt, XTT (sodium salt), XTT sodium salt , XTT sodium, XTT sodium salt, 90.00%. Offered by: TRC, GLPBio, Thermo Scientific (Alfa Aesar), Biosynth, Chemat. Available pack sizes: 100mg, 25mg, 50mg, 250mg, 0,25g, 0,1g, 0,5g, 1g.

Structural formula: {0} (CAS {1})

Sodium 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrobenzenesulfonate (CAS 111072-31-2) is a chemical compound with the molecular formula C22H16N7NaO13S2 and a molecular weight of 673.5 g/mol. IUPAC name: sodium 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrobenzenesulfonate. InChIKey: JACYMBNQPPWQML-UHFFFAOYSA-M.

Identity
Molecular formulaC22H16N7NaO13S2
Molecular weight673.5 g/mol
IUPAC namesodium 4-methoxy-5-[3-(2-methoxy-4-nitro-5-sulfonatophenyl)-5-(phenylcarbamoyl)tetrazol-3-ium-2-yl]-2-nitrobenzenesulfonate
InChIKeyJACYMBNQPPWQML-UHFFFAOYSA-M
SMILESCOC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)[O-])[N+](=O)[O-].[Na+]

Computed by PubChem (NCBI)