HIT ID: HIT218849300
Cas No: 6798-03-4
分子式: C32H19Cu2N7Na2O14S4
分子量: 1026.85
常用名: C.I. Direct violet 66
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
SMILES: [Na+].[Na+].NS(=O)(=O)c1ccc2[O-][Cu++]3[O-]c4c(c(cc5cc(Nc6ccc7c8[O-][Cu++]9[O-]c%10ccc(cc%10N=[N]9c8c(cc7c6)S([O-])(=O)=O)S(N)(=O)=O)ccc45)S([O-])(=O)=O)[N]3=Nc2c1
SMILES: [Na+].[Na+].NS(=O)(=O)c1ccc2[O-][Cu++]3[O-]c4c(c(cc5cc(Nc6ccc7c8[O-][Cu++]9[O-]c%10ccc(cc%10N=[N]9c8c(cc7c6)S([O-])(=O)=O)S(N)(=O)=O)ccc45)S([O-])(=O)=O)[N]3=Nc2c1
InChI key: OHHRMPATRJSFJN-UHFFFAOYSA-H