9-(2-Carboxyphenyl)-3,6-bis((2-ethyl-6-methyl-4-((5-methyl-1H-imidazol-4-yl)methyl)phenyl)amino)xanthylium acetate

CAS

85030-37-1

Catalog Number

ACM85030371

Category

Other Products

Molecular Weight

814.9692

Molecular Formula

C₅₀H₅₀N₆O₅

MSDS COA Spec Sheet

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Specification

Synonyms

85030-37-1, 9-(2-Carboxyphenyl)-3,6-bis((2-ethyl-6-methyl-4-((5-methyl-1H-imidazol-4-yl)methyl)phenyl)amino)xanthylium acetate, EINECS 285-161-7

IUPAC Name

acetic acid;2-[3-[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]anilino]-6-[2-ethyl-6-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]phenyl]iminoxanthen-9-yl]benzoic acid

Canonical SMILES

CCC1=CC(=CC(=C1NC2=CC3=C(C=C2)C(=C4C=CC(=[NH+]C5=C(C=C(C=C5CC)CC6=C(NC=N6)C)C)C=C4O3)C7=CC=CC=C7C(=O)O)C)CC8=C(NC=N8)C.CC(=O)[O-]

InChI Key

XOCJWGDTUJHNCU-UHFFFAOYSA-N

Density

g/cm³

EC Number

285-161-7

Exact Mass

814.38400

H-Bond Acceptor

H-Bond Donor

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