Analyte Name

4-((5-(bis(carboxymethyl)amino)-5-carboxypentyl)carbamoyl)-2-(2,7-dichloro-3-hydroxy-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid

Molecular Formula

C31 H28 Cl2 N2 O12

Molecular Weight

691.466

Accurate Mass

690.102

SMILES

OC(=O)CN(CC(=O)O)C(CCCCNC(=O)c1ccc(C(=O)O)c(c1)C2=C3C=C(Cl)C(=O)C=C3OC4C=C(O)C(=CC24)Cl)C(=O)O

InChI

InChI=1S/C31H28Cl2N2O12/c32-19-8-17-24(10-22(19)36)47-25-11-23(37)20(33)9-18(25)28(17)16-7-14(4-5-15(16)30(43)44)29(42)34-6-2-1-3-21(31(45)46)35(12-26(38)39)13-27(40)41/h4-5,7-11,17,21,24,36H,1-3,6,12-13H2,(H,34,42)(H,38,39)(H,40,41)(H,43,44)(H,45,46)

IUPAC

4-[[5-[bis(carboxymethyl)amino]-5-carboxypentyl]carbamoyl]-2-(2,7-dichloro-3-hydroxy-6-oxo-4a,9a-dihydroxanthen-9-yl)benzoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat