SIDAG Dye

cas: 308127-47-1 — see every product listed under this CAS number, including other names

SIDAG Dye (CAS 308127-47-1) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 1mg. Offered by: TRC.

brandTRC
catalog numberTRC-S422800-10MG
cas308127-47-1
size10mg
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Structural formula: {0} (CAS {1})

Sodium 4-[2-[7-[3,3-dimethyl-5-[[(2S,3R,4R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-5-[[(5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]indol-1-yl]butane-1-sulfonate (CAS 308127-47-1) is a chemical compound with the molecular formula C49H69N4NaO18S2 and a molecular weight of 1089.2 g/mol. IUPAC name: sodium 4-[2-[7-[3,3-dimethyl-5-[[(2S,3R,4R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-5-[[(5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]indol-1-yl]butane-1-sulfonate. InChIKey: OBCDZDCGTDCFQV-SMYDWBAHSA-M.

Identity
Molecular formulaC49H69N4NaO18S2
Molecular weight1089.2 g/mol
IUPAC namesodium 4-[2-[7-[3,3-dimethyl-5-[[(2S,3R,4R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-5-[[(5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]indol-1-yl]butane-1-sulfonate
InChIKeyOBCDZDCGTDCFQV-SMYDWBAHSA-M
SMILESCC1(C2=C(C=CC(=C2)C(=O)NC[C@@H]([C@H]([C@@H](C(CO)O)O)O)O)[N+](=C1C=CC=CC=CC=C3C(C4=C(N3CCCCS(=O)(=O)[O-])C=CC(=C4)C(=O)NCC(C(C([C@@H](CO)O)O)O)O)(C)C)CCCCS(=O)(=O)[O-])C.[Na+]

Computed by PubChem (NCBI)

Synonyms: SIDAG Dye

Also listed as

Sodium 4-(2-(7-(3,3-dimethyl-5-(((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)-1-(4-sulfonatobutyl)-3H-indol-1-ium-2-yl)hepta-2,4,6-trien-1-ylidene)-3,3-dimethyl-5-(((2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl)carbamoyl)indolin-1-yl)butane-1-sulfonate, 98% Chemat Brand CAS 308127-47-1