3,6-Diamino-9-[2-carboxy-4-[[[3-(11,12-didehydro-11,12-dibenz[b,f]azocin-5(6H)-yl)-3-oxopropyl]amino]carbonyl]phenyl]-4,5-disulfoXanthylium inner salt, 98%

cas: 2423960-92-1 — see every product listed under this CAS number, including other names

3,6-Diamino-9-[2-carboxy-4-[[[3-(11,12-didehydro-11,12-dibenz[b,f]azocin-5(6H)-yl)-3-oxopropyl]amino]carbonyl]phenyl]-4,5-disulfoXanthylium inner salt, 98% (CAS 2423960-92-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

• 2D
• 3D

3-amino-6-azaniumylidene-9-[4-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamoyl]-2-carboxyphenyl]-5-sulfoxanthene-4-sulfonate (CAS 2423960-92-1) is a chemical compound with the molecular formula C39H28N4O11S2 and a molecular weight of 792.8 g/mol. IUPAC name: 3-amino-6-azaniumylidene-9-[4-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamoyl]-2-carboxyphenyl]-5-sulfoxanthene-4-sulfonate. InChIKey: BNVKILBVLFUYQW-UHFFFAOYSA-N.

Identity

Molecular formula	C39H28N4O11S2
Molecular weight	792.8 g/mol
IUPAC name	3-amino-6-azaniumylidene-9-[4-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamoyl]-2-carboxyphenyl]-5-sulfoxanthene-4-sulfonate
InChIKey	BNVKILBVLFUYQW-UHFFFAOYSA-N
SMILES	C1C2=CC=CC=C2C#CC3=CC=CC=C3N1C(=O)CCNC(=O)C4=CC(=C(C=C4)C5=C6C=CC(=[NH2+])C(=C6OC7=C5C=CC(=C7S(=O)(=O)[O-])N)S(=O)(=O)O)C(=O)O

Computed by PubChem (NCBI)

Synonyms: orb3028719

Related forms of this compound

2-(3-amino-6-imino-4,5-disulfoxanthen-9-yl)-5-[[3-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-3-oxopropyl]carbamoyl]benzoic acid C₃₉H₂₈N₄O₁₁S₂