1,1’-Bis-(4-sulfobutyl)-indotricarbocyanine-5,5’-dicarboxylic Acid Monosodium Salt;


CAS No. : 308127-43-7

1,1’-Bis-(4-sulfobutyl)-indotricarbocyanine-5,5’-dicarboxylic Acid Monosodium Salt;,308127-43-7
Product Details
Cat No:R057366
Synonyms:5-Carboxy-2-[7-[5-carboxy-1,3-dihydro-3,3-dimethyl-1-(4-sulfobutyl)-2H-indol-2-ylidene]-1,3,5-heptatrien-1-yl]-3,3-dimethyl-1-(4-sulfobutyl)-3H-indolium Monosodium Salt; NIR 96005
Molecular Formula:C37H43N2NaO10S2
Molecular Weight:762.865
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Cat No:R057366
Cas No:308127-43-7
Product-Name:1,1’-Bis-(4-sulfobutyl)-indotricarbocyanine-5,5’-dicarboxylic Acid Monosodium Salt;
IUPAC Name:sodium;4-[(2E)-5-carboxy-2-[(2E,4E,6E)-7-[5-carboxy-3,3-dimethyl-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethylindol-1-yl]butane-1-sulfonate
InChI:InChI=1S/C37H44N2O10S2.Na/c1-36(2)28-24-26(34(40)41)16-18-30(28)38(20-10-12-22-50(44,45)46)32(36)14-8-6-5-7-9-15-33-37(3,4)29-25-27(35(42)43)17-19-31(29)39(33)21-11-13-23-51(47,48)49;/h5-9,14-19,24-25H,10-13,20-23H2,1-4H3,(H3-,40,41,42,43,44,45,46,47,48,49);/q;+1/p-1
InChIKey:RKUODBYIZYLIDP-UHFFFAOYSA-M
SMILES:CC1(C2=C(C=CC(=C2)C(=O)O)[N+](=C1C=CC=CC=CC=C3C(C4=C(N3CCCCS(=O)(=O)[O-])C=CC(=C4)C(=O)O)(C)C)CCCCS(=O)(=O)[O-])C.[Na+]
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