1095667-59-6 (3,6-二氨基-9-(2,5-二羧基苯基)-4,5-二磺基-氧杂苄鎓内盐 N,N-二乙基乙胺(1:3),3,6-diamino-9-(2,5-dicarboxyphenyl)-4,5-disulfo-Xanthylium inner salt, compd. with N,N-diethylethanamine (1:3))

CAS号:
1095667-59-6
中文名称:
3,6-二氨基-9-(2,5-二羧基苯基)-4,5-二磺基-氧杂苄鎓内盐 N,N-二乙基乙胺(1:3)
英文名称:
3,6-diamino-9-(2,5-dicarboxyphenyl)-4,5-disulfo-Xanthylium inner salt, compd. with N,N-diethylethanamine (1:3)
分子式:
C39H59N5O11S2
分子量:
838.042668581009

3,6-二氨基-9-(2,5-二羧基苯基)-4,5-二磺基-氧杂苄鎓内盐 N,N-二乙基乙胺(1:3)(1095667-59-6)名称与标识符

标识符

InChIKey:
RXGKPYRDZJNZKE-UHFFFAOYSA-N
Inchi:
1S/C21H14N2O11S2.3C6H15N/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;3*1-4-7(5-2)6-3/h1-7H,22-23H2,(H3-,24,25,26,27,28,29,30,31,32,33);3*4-6H2,1-3H3
SMILES:
S(=O)(O)(=O)C1C2C(C=CC=1N)=C(C1=C(C(=C(C=C1)N)S(=O)([O-])=O)[O+]=2)C1C=C(C(=O)O)C=CC=1C(O)=O.N(CC)(CC)CC.N(CC)(CC)CC.N(CC)(CC)CC