Sulfo-Cy3-Tetrazine

cas: 2055138-86-6 — see every product listed under this CAS number, including other names

Sulfo-Cy3-Tetrazine (CAS 2055138-86-6) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas2055138-86-6
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Structural formula: {0} (CAS {1})

2-[(E,3Z)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[6-oxo-6-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]hexyl]indol-1-ium-5-sulfonate (CAS 2055138-86-6) is a chemical compound with the molecular formula C41H47N7O10S3 and a molecular weight of 894.1 g/mol. IUPAC name: 2-[(E,3Z)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[6-oxo-6-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]hexyl]indol-1-ium-5-sulfonate. InChIKey: CWXYQDVOGSOOPQ-UHFFFAOYSA-N.

Identity
Molecular formulaC41H47N7O10S3
Molecular weight894.1 g/mol
IUPAC name2-[(E,3Z)-3-[3,3-dimethyl-5-sulfo-1-(3-sulfopropyl)indol-2-ylidene]prop-1-enyl]-3,3-dimethyl-1-[6-oxo-6-[[4-(1,2,4,5-tetrazin-3-yl)phenyl]methylamino]hexyl]indol-1-ium-5-sulfonate
InChIKeyCWXYQDVOGSOOPQ-UHFFFAOYSA-N
SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])[N+](=C1/C=C/C=C\3/C(C4=C(N3CCCS(=O)(=O)O)C=CC(=C4)S(=O)(=O)O)(C)C)CCCCCC(=O)NCC5=CC=C(C=C5)C6=NN=CN=N6)C

Computed by PubChem (NCBI)

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