小分子和化合物库
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海柯皂苷元分子式: C27H42O4 分子量: 430.63IUPAC Name: (1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-oneSMILES: CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1InChIKey: QOLRLLFJMZLYQJ-LOBDNJQFSA-NInChI: 1S/C27H42O4/c1-15-7-10-27(30-14-15)16(2)24-22(31-27)12-21-19-6-5-17-11-18(28)8-9-25(17,3)20(19)13-23(29)26(21,24)4/h15-22,24,28H,5-14H2,1-4H3/t15-,16+,17+,18+,19-,20+,21+,22+,24+,25+,26-,27-/m1/s1
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植酸 二钾盐CAS号: 129832-03-7 Compound CID : 22838972分子式: C6H16O24P6K2 分子量: 736.22IUPAC Name: dipotassium;[(2R,3S,5R,6R)-2,3,4,5,6-pentaphosphonooxycyclohexyl] phosphateSMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)([O-])[O-])OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[K+].[K+]InChIKey: LFTTXUFEVNNTHA-OKBOCSEJSA-LInChI: See more
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阻燃剂FRC-2CAS号: 20120-33-6分子式: C6H14NO5P 分子量: 211.16IUPAC Name: 3-dimethoxyphosphoryl-N-(hydroxymethyl)propanamideSMILES: COP(=O)(CCC(=O)NCO)OCInChIKey: MCONGYNHPPCHSD-UHFFFAOYSA-NInChI: 1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
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DTSSP交联剂二钠盐CAS号: 142702-31-6分子式: C14H14O14N2S4Na2 分子量: 608.51IUPAC Name: disodium;1-[3-[[3-(2,5-dioxo-3-sulfonatopyrrolidin-1-yl)oxy-3-oxopropyl]disulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonateSMILES: C1C(C(=O)N(C1=O)OC(=O)CCSSCCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]InChIKey: XRWWBWZHHSXBNC-UHFFFAOYSA-LInChI: 1S/C14H16N2O14S4.2Na/c17-9-5-7(33(23,24)25)13(21)15(9)29-11(19)1-3-31-32-4-2-12(20)30-16-10(18)6-8(14(16)22)34(26,27)28;;/h7-8H,1-6H2,(H,23,24,25)(H,26,27,28);;/q;2*+1/p-2
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偏钨酸钠(POM-1)CAS号: 12141-67-2 Compound CID : 71311259分子式: H2O40Na6W12 分子量: 2986.01SMILES: See moreInChIKey: YVQUUPJGDSQKML-UHFFFAOYSA-N
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克霉唑-d5CAS号: 1185076-41-8分子式: C22H12D5ClN2 分子量: 349.87IUPAC Name: 1-[(2-chlorophenyl)-(2,3,4,5,6-pentadeuteriophenyl)-phenylmethyl]imidazoleSMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4InChIKey: VNFPBHJOKIVQEB-MBRJKSRSSA-NInChI: 1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H/i1D,3D,4D,9D,10D
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羟基环磷酰胺缩氨基脲CAS号: 53948-46-2分子式: C8H18Cl2N5O3P 分子量: 334.14IUPAC Name: [(E)-3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropylideneamino]ureaSMILES: C(COP(=O)(N)N(CCCl)CCCl)C=NNC(=O)NInChIKey: DDSWASMKEIRTLV-YIXHJXPBSA-NInChI: 1S/C8H18Cl2N5O3P/c9-2-5-15(6-3-10)19(12,17)18-7-1-4-13-14-8(11)16/h4H,1-3,5-7H2,(H2,12,17)(H3,11,14,16)/b13-4+
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4-表氯四环素盐酸盐CAS号: 101342-45-4分子式: C22H24Cl2N2O8 分子量: 515.34IUPAC Name: (4R,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;hydrochlorideSMILES: CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C(C=CC(=C41)Cl)O)O)O)O)C(=O)N)N(C)C)O.ClInChIKey: QYAPHLRPFNSDNH-QNUQNERCSA-NInChI: 1S/C22H23ClN2O8.ClH/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21;/h4-5,7-8,15,26-27,30,32-33H,6H2,1-3H3,(H2,24,31);1H/t7-,8-,15+,21-,22-;/m0./s1
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