小分子和化合物库

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  1. 6-羧基四甲基罗丹明
    CAS号: 91809-67-5
    分子式: C25H22N2O5        分子量: 430.45
    IUPAC Name: 4-carboxy-3-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]benzoate
    SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)[O-])C(=O)O
    InChIKey: COCMHKNAGZHBDZ-UHFFFAOYSA-N
    InChI: 1S/C25H22N2O5/c1-26(2)15-6-9-18-21(12-15)32-22-13-16(27(3)4)7-10-19(22)23(18)20-11-14(24(28)29)5-8-17(20)25(30)31/h5-13H,1-4H3,(H-,28,29,30,31)
  2. 6-羧基四甲基罗丹明琥珀酰亚胺酯
    CAS号: 150810-69-8
    分子式: C29H25N3O7        分子量: 527.52
    IUPAC Name: 2-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-4-(2,5-dioxopyrrolidin-1-yl)oxycarbonylbenzoate
    SMILES: CN(C)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](C)C)C=C3O2)C4=C(C=CC(=C4)C(=O)ON5C(=O)CCC5=O)C(=O)[O-]
    InChIKey: PAOQTZWNYMMSEE-UHFFFAOYSA-N
    InChI: 1S/C29H25N3O7/c1-30(2)17-6-9-20-23(14-17)38-24-15-18(31(3)4)7-10-21(24)27(20)22-13-16(5-8-19(22)28(35)36)29(37)39-32-25(33)11-12-26(32)34/h5-10,13-15H,11-12H2,1-4H3
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