Analyte Name

Disodium 2-((4-(2-(1,3-benzothiazol-2-yl)-3-(4-(4-(3-(1,3-benzothiazol-2-yl)-5-(4-(bis(2-sulfonatoethyl)carbamoyl)phenyl)tetrazol-2-ium-2-yl)-3-methoxyphenyl)-2-methoxyphenyl)tetrazol-3-ium-5-yl)benzoyl)-(2-sulfonatoethyl)amino)ethanesulfonate

CAS Number

178925-55-8

Molecular Formula

C52 H44 N12 O16 S6 . 2 Na

Molecular Weight

1331.346

Accurate Mass

1330.112

SMILES

[Na+].[Na+].COc1cc(ccc1[n+]2nc(nn2c3nc4ccccc4s3)c5ccc(cc5)C(=O)N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-])c6ccc(c(OC)c6)[n+]7nc(nn7c8nc9ccccc9s8)c%10ccc(cc%10)C(=O)N(CCS(=O)(=O)[O-])CCS(=O)(=O)[O-]

InChI

InChI=1S/C52H46N12O16S6.2Na/c1-79-43-31-37(19-21-41(43)61-55-47(57-63(61)51-53-39-7-3-5-9-45(39)81-51)33-11-15-35(16-12-33)49(65)59(23-27-83(67,68)69)24-28-84(70,71)72)38-20-22-42(44(32-38)80-2)62-56-48(58-64(62)52-54-40-8-4-6-10-46(40)82-52)34-13-17-36(1

IUPAC

disodium;2-[[4-[2-(1,3-benzothiazol-2-yl)-3-[4-[4-[3-(1,3-benzothiazol-2-yl)-5-[4-[bis(2-sulfonatoethyl)carbamoyl]phenyl]tetrazol-2-ium-2-yl]-3-methoxyphenyl]-2-methoxyphenyl]tetrazol-3-ium-5-yl]benzoyl]-(2-sulfonatoethyl)amino]ethanesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat