分析物名称

3,6-Diamino-9-(2,4(or 3,5,6)-dicarboxyphenyl)-4,5-disulfo-xanthylium Inner Salt (Mixture of Isomers)

分子式

C21H14N2O11S2

分子量

534.47

精确质量测定

534

SMILES

NC1=C(S(=O)(O)=O)C2=[O+]C3=C(S(=O)([O-])=O)C(N)=CC=C3C(C4=C(C(O)=O)C=CC=C4C(O)=O)=C2C=C1.NC5=C(S(=O)(O)=O)C6=[O+]C7=C(S(=O)([O-])=O)C(N)=CC=C7C(C8=CC(C(O)=O)=CC=C8C(O)=O)=C6C=C5.NC9=C(S(=O)(O)=O)C%10=[O+]C%11=C(S(=O)([O-])=O)C(N)=CC=C%11C(C%12=CC=C(C(O)=O)C=C%12C(O)=O)=C%10C=C9.NC%13=C(S(=O)(O)=O)C%14=[O+]C%15=C(S(=O)([O-])=O)C(N)=CC=C%15C(C%16=CC=CC(C(O)=O)=C%16C(O)=O)=C%14C=C%13

InChI

InChI=1S/4C21H14N2O11S2/c22-13-5-3-10-15(12-7-8(20(24)25)1-2-9(12)21(26)27)11-4-6-14(23)19(36(31,32)33)17(11)34-16(10)18(13)35(28,29)30;22-13-5-3-10-15(9-2-1-8(20(24)25)7-12(9)21(26)27)11-4-6-14(23)19(36(31,32)33)17(11)34-16(10)18(13)35(28,29)30;22-12-6-4-8-14(15-10(20(24)25)2-1-3-11(15)21(26)27)9-5-7-13(23)19(36(31,32)33)17(9)34-16(8)18(12)35(28,29)30;22-12-6-4-9-14(8-2-1-3-11(20(24)25)15(8)21(26)27)10-5-7-13(23)19(36(31,32)33)17(10)34-16(9)18(12)35(28,29)30/h4*1-7H,22-23H2,(H3-,24,25,26,27,28,29,30,31,32,33)

IUPAC

3,6-diamino-9-(2,3-dicarboxyphenyl)-5-sulfoxanthylium-4-sulfonate--3,6-diamino-9-(2,4-dicarboxyphenyl)-5-sulfoxanthylium-4-sulfonate--3,6-diamino-9-(2,5-dicarboxyphenyl)-5-sulfoxanthylium-4-sulfonate--3,6-diamino-9-(2,6-dicarboxyphenyl)-5-sulfoxanthylium-4-sulfonate (mixture)

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat