分析物名称

Brilliant Blue G

CAS登记号

6104-58-1

分子式

C47 H49 N3 O7 S2 . Na

分子量

855.03

精确质量测定

854.2904

SMILES

[Na+].CCOc1ccc(Nc2ccc(cc2)\C(=C\3/C=C\C(=[N+](\CC)/Cc4cccc(c4)S(=O)(=O)[O-])\C=C3C)\c5ccc(cc5C)N(CC)Cc6cccc(c6)S(=O)(=O)O)cc1

InChI

InChI=1S/C47H49N3O7S2.Na/c1-6-49(31-35-11-9-13-43(29-35)58(51,52)53)40-21-25-45(33(4)27-40)47(37-15-17-38(18-16-37)48-39-19-23-42(24-20-39)57-8-3)46-26-22-41(28-34(46)5)50(7-2)32-36-12-10-14-44(30-36)59(54,55)56;/h9-30H,6-8,31-32H2,1-5H3,(H2,51,52,53,54,55,56);/q;+1

IUPAC

sodium;3-[[(E)-[(4Z)-4-[[4-(4-ethoxyanilino)phenyl]-[4-[ethyl-[(3-sulfophenyl)methyl]amino]-2-methyl-phenyl]methylene]-3-methyl-cyclohexa-2,5-dien-1-ylidene]-ethyl-ammonio]methyl]benzenesulfonate

存储温度

+4°C

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat

API家族

Brilliant Blue G