CAS 35501-76-9 5-Phenyl-2-[2-[[5-phenyl-3-(4-sulfobutyl)-3H-benzoxazol-2-ylidene]-methyl]-but-1-enyl]- 3-(4-sulfobutyl)-benzoxazolium hydroxide, inner salt, sodium salt

NAVIGATION

5-Phenyl-2-[2-[[5-phenyl-3-(4-sulfobutyl)-3H-benzoxazol-2-ylidene]-methyl]-but-1-enyl]- 3-(4-sulfobutyl)-benzoxazolium hydroxide, inner salt, sodium salt

PRICE INQUIRY

Catalog Number

ACM35501769-1

CAS Number

35501-76-9

Product Name

5-Phenyl-2-[2-[[5-phenyl-3-(4-sulfobutyl)-3H-benzoxazol-2-ylidene]-methyl]-but-1-enyl]- 3-(4-sulfobutyl)-benzoxazolium hydroxide, inner salt, sodium salt

Structure

Category

Water Soluble Cyanine Dyes

IUPAC Name

sodium;4-[(2Z)-5-phenyl-2-[(2E)-2-[[5-phenyl-3-(4-sulfonatobutyl)-1,3-benzoxazol-3-ium-2-yl]methylidene]butylidene]-1,3-benzoxazol-3-yl]butane-1-sulfonate

Molecular Weight

750.86

Molecular Formula

C39H39N2NaO8S2

Canonical SMILES

CCC(=CC1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCCS(=O)(=O)[O-])C=C4N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C39H40N2O8S2.Na/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;/h3-8,13-20,25-28H,2,9-12,21-24H2,1H3,(H-,42,43,44,45,46,47);/q;+1/p-1

InChI Key

UTIGXBHIJIRMNK-UHFFFAOYSA-M

Absorption Maximum

504 nm

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(O1)C=CC(=C2)C3=CC=CC=C3)CCCCS(=O)(=O)[O-])/C=C\4/N(C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCCS(=O)(=O)[O-].[Na+]

Solvent

MeOH

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