Sidag

CAS

308127-47-1

Catalog Number

ACM308127471

Category

Other Products

Molecular Weight

1089.21

Molecular Formula

C₄₉H₆₉N₄NaO₁₈S₂

MSDS COA Spec Sheet

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Specification

Synonyms

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

IUPAC Name

sodium;4-[(2E)-2-[(2E,4E,6E)-7-[3,3-dimethyl-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]-1-(4-sulfonatobutyl)indol-1-ium-2-yl]hepta-2,4,6-trienylidene]-3,3-dimethyl-5-[[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]carbamoyl]indol-1-yl]butane-1-s

Canonical SMILES

CC1(C2=C(C=CC(=C2)C(=O)NCC(C(C(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(CO)O)O)O)O)(C)C)CCCCS(=O)(=O)[O-])C.[Na+]

InChI Key

OBCDZDCGTDCFQV-MFZQRHOYSA-M

Exact Mass

1088.39000

H-Bond Acceptor

H-Bond Donor