FLUO-3

Catalog Number

ACM123632393-1

CAS

123632-39-3

Structure

Synonyms

4-(2,7-Dichloro-6-hydroxy-3-oxo-9-xanthenyl)-4'-methyl-2,2'-(ethylenedioxy)dianiline-N,N,N',N'-tetraaceticacid

IUPAC Name

2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]aceticacid

Molecular Weight

769.53

Molecular Formula

C36H30Cl2N2O13

Canonical SMILES

CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)O)Cl)N(CC(=O)O)CC(=O)O

InChI

InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)

InChI Key

OZLGRUXZXMRXGP-UHFFFAOYSA-N

Melting Point

> 250 °C

Purity

98%+

Appearance

Dark reddish-brown powder

Storage

- 20 °C

Packaging

1 Kg

• Catalog Number: ACM123632393-1
• CAS: 123632-39-3
• Synonyms: 4-(2,7-Dichloro-6-hydroxy-3-oxo-9-xanthenyl)-4'-methyl-2,2'-(ethylenedioxy)dianiline-N,N,N',N'-tetraaceticacid
• IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]-5-(2,7-dichloro-3-hydroxy-6-oxoxanthen-9-yl)phenoxy]ethoxy]-N-(carboxymethyl)-4-methylanilino]aceticacid
• Molecular Weight: 769.53
• Molecular Formula: C36H30Cl2N2O13
• Canonical SMILES: CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCCOC2=C(C=CC(=C2)C3=C4C=C(C(=O)C=C4OC5=CC(=C(C=C53)Cl)O)Cl)N(CC(=O)O)CC(=O)O
• InChI: InChI=1S/C36H30Cl2N2O13/c1-18-2-4-24(39(14-32(43)44)15-33(45)46)30(8-18)51-6-7-52-31-9-19(3-5-25(31)40(16-34(47)48)17-35(49)50)36-20-10-22(37)26(41)12-28(20)53-29-13-27(42)23(38)11-21(29)36/h2-5,8-13,41H,6-7,14-17H2,1H3,(H,43,44)(H,45,46)(H,47,48)(H,49,50)
• InChI Key: OZLGRUXZXMRXGP-UHFFFAOYSA-N
• Melting Point: > 250 °C
• Purity: 98%+
• Appearance: Dark reddish-brown powder
• Storage: - 20 °C
• Packaging: 1 Kg