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小分子和化合物库
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D-α-托可醌分子式: C29H50O3 分子量: 446.72IUPAC Name: 2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dioneSMILES: CC1=C(C(=O)C(=C(C1=O)C)CCC(C)(CCCC(C)CCCC(C)CCCC(C)C)O)CInChIKey: LTVDFSLWFKLJDQ-IEOSBIPESA-NInChI: 1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
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3-氰丙基甲基二氯硅烷CAS号: 1190-16-5分子式: C5H9Cl2NSi 分子量: 182.12IUPAC Name: 4-[dichloro(methyl)silyl]butanenitrileSMILES: C[Si](CCCC#N)(Cl)ClInChIKey: UIFBMBZYGZSWQE-UHFFFAOYSA-NInChI: 1S/C5H9Cl2NSi/c1-9(6,7)5-3-2-4-8/h2-3,5H2,1H3
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13-二甲氧基-1133-四甲基二硅氧烷CAS号: 18187-24-1分子式: C6H18O3Si2 分子量: 194.38IUPAC Name: methoxy-[methoxy(dimethyl)silyl]oxy-dimethylsilaneSMILES: CO[Si](C)(C)O[Si](C)(C)OCInChIKey: XKINWJBZPLWKCW-UHFFFAOYSA-NInChI: 1S/C6H18O3Si2/c1-7-10(3,4)9-11(5,6)8-2/h1-6H3
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1H,1H,2H,2H-全氟辛基甲基二氯硅烷CAS号: 73609-36-6分子式: C9H7Cl2F13Si 分子量: 461.13IUPAC Name: dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silaneSMILES: C[Si](CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(Cl)ClInChIKey: VBDMVWQNRXVEGC-UHFFFAOYSA-NInChI: 1S/C9H7Cl2F13Si/c1-25(10,11)3-2-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h2-3H2,1H3
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7-甲氧基-2,3-二氢-1H-吲哚CAS号: 334986-99-1分子式: C9H11NO 分子量: 149.19IUPAC Name: 7-methoxy-2,3-dihydro-1H-indoleSMILES: COC1=CC=CC2=C1NCC2InChIKey: QLVATPFLTCNUBR-UHFFFAOYSA-NInChI: 1S/C9H11NO/c1-11-8-4-2-3-7-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
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烯丙基1H，1H-七氟丁基醚CAS号: 648-42-0分子式: C7H7OF7 分子量: 240.11IUPAC Name: 1,1,1,2,2,3,3-heptafluoro-4-prop-2-enoxybutaneSMILES: C=CCOCC(C(C(F)(F)F)(F)F)(F)FInChIKey: OLXJWIOOAUUDHX-UHFFFAOYSA-NInChI: 1S/C7H7F7O/c1-2-3-15-4-5(8,9)6(10,11)7(12,13)14/h2H,1,3-4H2
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顺式1,1,2,2,3,4-六氟环丁烷CAS号: 22819-47-2分子式: C4H2F6 分子量: 164.05IUPAC Name: (3S,4R)-1,1,2,2,3,4-hexafluorocyclobutaneSMILES: [C@H]1([C@@H](C(C1(F)F)(F)F)F)FInChIKey: LMSLTAIWOIYSGZ-XIXRPRMCSA-NInChI: 1S/C4H2F6/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+
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5-甲基吡嗪-2-腈CAS号: 98006-91-8分子式: C6H5N3 分子量: 119.12IUPAC Name: 5-methylpyrazine-2-carbonitrileSMILES: CC1=CN=C(C=N1)C#NInChIKey: AYMRPLHDHGMXOF-UHFFFAOYSA-NInChI: 1S/C6H5N3/c1-5-3-9-6(2-7)4-8-5/h3-4H,1H3
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Br-PEG4-OHCAS号: 85141-94-2分子式: C8H17BrO4 分子量: 257.12IUPAC Name: 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethanolSMILES: C(COCCOCCOCCBr)OInChIKey: CERQCRALBKUCTF-UHFFFAOYSA-NInChI: 1S/C8H17BrO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-8H2
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HO-PEG8-CH2CH2COOHCAS号: 937188-60-8分子式: C19H38O11 分子量: 442.50IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acidSMILES: C(COCCOCCOCCOCCOCCOCCOCCOCCO)C(=O)OInChIKey: BGBLNDCLYGWOKM-UHFFFAOYSA-NInChI: 1S/C19H38O11/c20-2-4-24-6-8-26-10-12-28-14-16-30-18-17-29-15-13-27-11-9-25-7-5-23-3-1-19(21)22/h20H,1-18H2,(H,21,22)
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