Products 1639809-02-1

CAS 1639809-02-1 is the registry number for ATTO 514. Offered by: MedChemExpress. Available pack sizes: Get quote.

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

[9-[2-[3-carboxypropyl(methyl)carbamoyl]phenyl]-4,5-disulfo-6-(2,2,2-trifluoroethylamino)xanthen-3-ylidene]-(2,2,2-trifluoroethyl)azanium perchlorate (CAS 1639809-02-1) is a chemical compound with the molecular formula C29H26ClF6N3O14S2 and a molecular weight of 854.1 g/mol. IUPAC name: [9-[2-[3-carboxypropyl(methyl)carbamoyl]phenyl]-4,5-disulfo-6-(2,2,2-trifluoroethylamino)xanthen-3-ylidene]-(2,2,2-trifluoroethyl)azanium perchlorate. InChIKey: WMJHYOGNWYYQRV-UHFFFAOYSA-N.

Identity
Molecular formulaC29H26ClF6N3O14S2
Molecular weight854.1 g/mol
IUPAC name[9-[2-[3-carboxypropyl(methyl)carbamoyl]phenyl]-4,5-disulfo-6-(2,2,2-trifluoroethylamino)xanthen-3-ylidene]-(2,2,2-trifluoroethyl)azanium perchlorate
InChIKeyWMJHYOGNWYYQRV-UHFFFAOYSA-N
SMILESCN(CCCC(=O)O)C(=O)C1=CC=CC=C1C2=C3C=CC(=[NH+]CC(F)(F)F)C(=C3OC4=C2C=CC(=C4S(=O)(=O)O)NCC(F)(F)F)S(=O)(=O)O.[O-]Cl(=O)(=O)=O

Computed by PubChem (NCBI)