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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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8-苯胺基-1-萘磺酸镁(II)盐水合物CAS号 : 18108-68-4 Compound CID : 87458分子式: C32H24MgN2O6S2.xH2O 分子量: 620.98IUPAC Name: magnesium;8-anilinonaphthalene-1-sulfonateSMILES: C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].C1=CC=C(C=C1)NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-].[Mg+2]InChIKey: IRKGXNAZPUOEMW-UHFFFAOYSA-LInChI: InChI=1S/2C16H13NO3S.Mg/c2*18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h2*1-11,17H,(H,18,19,20);/q;;+2/p-2
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1-Fmoc-4-哌啶乙酸CAS号 : 180181-05-9 Compound CID : 978354分子式: C22H23NO4 分子量: 365.42IUPAC Name: 2-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]acetic acidSMILES: C1CN(CCC1CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24InChIKey: CQAGUAUKAZHOSU-UHFFFAOYSA-NInChI: InChI=1S/C22H23NO4/c24-21(25)13-15-9-11-23(12-10-15)22(26)27-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20H,9-14H2,(H,24,25)
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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)
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雌三醇7-O-β-D-吡喃葡萄糖苷CAS号 : 38965-51-4 Compound CID : 13254473分子式: C21H22O11 分子量: 450.39IUPAC Name: (2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-oneSMILES: C1C(OC2=CC(=CC(=C2C1=O)O)OC3C(C(C(C(O3)CO)O)O)O)C4=CC(=C(C=C4)O)OInChIKey: RAFHNDRXYHOLSH-SFTVRKLSSA-NInChI: InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1
