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IR-797氯化物
ir-797 chloride
2-[2-[2-chloro-3-[2-(1,3-dihydro-1,3,3-trimethyl-2h-indol-2-ylidene)-ethylidene]-1-cyclopenten-1-yl-ethenyl]-1,3,3-trimethyl-3h-indolium chloride
CAS号: 110992-55-7
IUPAC名称: (2Z)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclopent-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole chloride
分子式: C31H34Cl2N2
分子量: 505.52100
InChI: InChI=1S/C31H34ClN2.ClH/c1-30(2)23-11-7-9-13-25(23)33(5)27(30)19-17-21-15-16-22(29(21)32)18-20-28-31(3,4)24-12-8-10-14-26(24)34(28)6;/h7-14,17-20H,15-16H2,1-6H3;1H/q+1;/p-1
InChIKey: OATKVFFCVUJOEX-UHFFFAOYSA-M
SMILES: -
EINECS: CC1(C2=CC=CC=C2[N+](=C1/C=C/C3=C(/C(=C/C=C\4/C(C5=CC=CC=C5N4C)(C)C)/CC3)Cl)C)C.[Cl-]
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