CAS 63450-48-6 5-Chloro-2-[2-[5-chloro-3-(4-sulfobutyl)-3H-benzothiazol-2-ylidenemethyl]-but-1-enyl]- 3-(4-sulfobutyl)-benzothiazol-3-ium hydroxide, inner salt, triethylammonium salt

NAVIGATION

5-Chloro-2-[2-[5-chloro-3-(4-sulfobutyl)-3H-benzothiazol-2-ylidenemethyl]-but-1-enyl]- 3-(4-sulfobutyl)-benzothiazol-3-ium hydroxide, inner salt, triethylammonium salt

PRICE INQUIRY

Catalog Number

ACM63450486

CAS Number

63450-48-6

Product Name

5-Chloro-2-[2-[5-chloro-3-(4-sulfobutyl)-3H-benzothiazol-2-ylidenemethyl]-but-1-enyl]- 3-(4-sulfobutyl)-benzothiazol-3-ium hydroxide, inner salt, triethylammonium salt

Structure

Category

Water Soluble Cyanine Dyes

IUPAC Name

4-[(2Z)-5-chloro-2-[(2E)-2-[[5-chloro-3-(4-sulfobutyl)-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzothiazol-3-yl]butane-1-sulfonate;N,N-diethylethanamine

Molecular Weight

778.88

Molecular Formula

C33H45Cl2N3O6S4

Canonical SMILES

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCCS(=O)(=O)O)C=C3N(C4=C(S3)C=CC(=C4)Cl)CCCCS(=O)(=O)[O-].CCN(CC)CC

InChI

InChI=1S/C27H30Cl2N2O6S4.C6H15N/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27;1-4-7(5-2)6-3/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37);4-6H2,1-3H3

InChI Key

RUOZVASHYBSRES-UHFFFAOYSA-N

Absorption Maximum

554 nm

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)Cl)CCCCS(=O)(=O)O)/C=C\3/N(C4=C(S3)C=CC(=C4)Cl)CCCCS(=O)(=O)[O-].CCN(CC)CC

Solvent

MeOH

If you have any other questions or need other size, please get a quote.