Analyte Name

9-[4-[Bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-3-[2-[2-[bis[2-[(acetyloxy)methoxy]-2-oxoethyl]amino]-5-methylphenoxy]ethoxy]phenyl]-3,6-bis(dimethylamino)xanthylium Bromide

CAS Number

145037-81-6

Molecular Formula

C52 H59 N4 O19 . Br

Molecular Weight

1123.944

Accurate Mass

1122.296

SMILES

[Br-].CN(C)c1ccc2C(=C3C=CC(=[N+](C)C)C=C3Oc2c1)c4ccc(N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)c(OCCOc5cc(C)ccc5N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)c4

InChI

InChI=1S/C52H59N4O19.BrH/c1-32-10-16-42(55(24-48(61)71-28-67-33(2)57)25-49(62)72-29-68-34(3)58)46(20-32)65-18-19-66-47-21-37(11-17-43(47)56(26-50(63)73-30-69-35(4)59)27-51(64)74-31-70-36(5)60)52-40-14-12-38(53(6)7)22-44(40)75-45-23-39(54(8)9)13-15-41(45)5

IUPAC

[9-[4-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-3-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-5-methylphenoxy]ethoxy]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethylazanium;bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Contaminant

Product Format

Neat