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3,6,9-三噁十一烷二酸CAS号 : 13887-98-4 Compound CID : 83793分子式: C8H14O7 分子量: 222.19IUPAC Name: 2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]acetic acidSMILES: C(COCC(=O)O)OCCOCC(=O)OInChIKey: HJZZQNLKBWJYPD-UHFFFAOYSA-NInChI: InChI=1S/C8H14O7/c9-7(10)5-14-3-1-13-2-4-15-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
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IR-775氯化物CAS号 : 199444-11-6 Compound CID : 44465046分子式: C32H36Cl2N2 分子量: 519.55IUPAC Name: (2E)-2-[(2E)-2-[2-chloro-3-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-1,3,3-trimethylindole;chlorideSMILES: CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4C)(C)C)CCC3)Cl)C)C.[Cl-]InChIKey: BPSIJFMUSNMMAL-UHFFFAOYSA-MInChI: InChI=1S/C32H36ClN2.ClH/c1-31(2)24-14-7-9-16-26(24)34(5)28(31)20-18-22-12-11-13-23(30(22)33)19-21-29-32(3,4)25-15-8-10-17-27(25)35(29)6;/h7-10,14-21H,11-13H2,1-6H3;1H/q+1;/p-1
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雷尼替丁-d6，盐酸盐CAS号 : 1185238-09-8 Compound CID : 45040340分子式: C13H17D6ClN4O3S 分子量: 356.9IUPAC Name: (E)-1-N'-[2-[[5-[[bis(trideuteriomethyl)amino]methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine;hydrochlorideSMILES: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C.ClInChIKey: GGWBHVILAJZWKJ-DICWLCDHSA-NInChI: InChI=1S/C13H22N4O3S.ClH/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3;/h4-5,9,14-15H,6-8,10H2,1-3H3;1H/b13-9+;/i2D3,3D3;
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4-(氯磺酰基)苯乙酸CAS号 : 22958-99-2 Compound CID : 2735819分子式: C8H7ClO4S 分子量: 234.7IUPAC Name: 2-(4-chlorosulfonylphenyl)acetic acidSMILES: C1=CC(=CC=C1CC(=O)O)S(=O)(=O)ClInChIKey: FQSSPHAFXLRJBR-UHFFFAOYSA-NInChI: InChI=1S/C8H7ClO4S/c9-14(12,13)7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
