小分子和化合物库
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抗氧剂412SCAS号 : 29598-76-3 Compound CID : 122423分子式: C65H124O8S4 分子量: 1161.94IUPAC Name: [3-(3-dodecylsulfanylpropanoyloxy)-2,2-bis(3-dodecylsulfanylpropanoyloxymethyl)propyl] 3-dodecylsulfanylpropanoateSMILES: CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCCInChIKey: VSVVZZQIUJXYQA-UHFFFAOYSA-NInChI: InChI=1S/C65H124O8S4/c1-5-9-13-17-21-25-29-33-37-41-49-74-53-45-61(66)70-57-65(58-71-62(67)46-54-75-50-42-38-34-30-26-22-18-14-10-6-2,59-72-63(68)47-55-76-51-43-39-35-31-27-23-19-15-11-7-3)60-73-64(69)48-56-77-52-44-40-36-32-28-24-20-16-12-8-4/h5-60H2,1-4H3
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抗氧剂5057CAS号 : 68411-46-1 Compound CID : 6455945分子式: C20H27N 分子量: 393.55IUPAC Name: N-phenylaniline;2,4,4-trimethylpent-1-eneSMILES: CC(=C)CC(C)(C)C.C1=CC=C(C=C1)NC2=CC=CC=C2InChIKey: NRBLRTXFXBXILY-UHFFFAOYSA-NInChI: InChI=1S/C12H11N.C8H16/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-7(2)6-8(3,4)5/h1-10,13H;1,6H2,2-5H3
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甲基柏木酮CAS号 : 32388-55-9 Compound CID : 16220111分子式: C17H26O 分子量: 246.39IUPAC Name: 1-[(1R,2R,5S,7R)-2,6,6,8-tetramethyl-9-tricyclo[5.3.1.01,5]undec-8-enyl]ethanoneSMILES: CC1CCC2C13CC(C2(C)C)C(=C(C3)C(=O)C)CInChIKey: YBUIAJZFOGJGLJ-SWRJLBSHSA-NInChI: InChI=1S/C17H26O/c1-10-6-7-15-16(4,5)14-9-17(10,15)8-13(11(14)2)12(3)18/h10,14-15H,6-9H2,1-5H3/t10-,14+,15+,17+/m1/s1
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聚乙烯吡咯烷酮碘络合物CAS号 : 25655-41-8 Compound CID : 410087分子式: C6H9I2NO 分子量: 364.95IUPAC Name: 1-ethenylpyrrolidin-2-one;molecular iodineSMILES: C=CN1CCCC1=O.IIInChIKey: CPKVUHPKYQGHMW-UHFFFAOYSA-NInChI: InChI=1S/C6H9NO.I2/c1-2-7-5-3-4-6(7)8;1-2/h2H,1,3-5H2;
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玫红酸分子式: C19H14O3 分子量: 290.31IUPAC Name: 4-[bis(4-hydroxyphenyl)methylidene]cyclohexa-2,5-dien-1-oneSMILES: C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)OInChIKey: FYEHYMARPSSOBO-UHFFFAOYSA-NInChI: InChI=1S/C19H14O3/c20-16-7-1-13(2-8-16)19(14-3-9-17(21)10-4-14)15-5-11-18(22)12-6-15/h1-12,20-21H
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双环己酮草酰二腙分子式: C14H22N4O2 分子量: 278.35IUPAC Name: N,N'-bis(cyclohexylideneamino)oxamideSMILES: C1CCC(=NNC(=O)C(=O)NN=C2CCCCC2)CC1InChIKey: DSRJIHMZAQEUJV-UHFFFAOYSA-NInChI: InChI=1S/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)
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皂苷IUPAC Name: (2R,4S,5R,10S,13R,14R,18S,20R)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2-hydroxy-4,5,9,9,13,20-hexamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracosane-20-carbaldehydeSMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(CO5)O)O)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)CInChIKey: MAEBCGDGGATMSC-OSHGGGOQSA-NInChI: InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-46(85-51-45(40(71)37(68)27(19-61)80-51)84-49-43(74)39(70)36(67)26(18-60)79-49)44(83-48-42(73)38(69)35(66)25(17-59)78-48)28(21-76-50)81-47-41(72)34(65)24(63)20-75-47/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25-,26-,27-,28+,29?,30-,31+,32-,33+,34+,35-,36-,37-,38+,39+,40+,41-,42-,43-,44+,45-,46-,47+,48-,49-,50+,51+,53-,54+,55-,56+,57?,58?/m1/s1
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(+)-(1s,3r)-3-氨基环戊烷羧酸CAS号 : 71830-07-4分子式: C6H11NO2 分子量: 129.16IUPAC Name: (1S,3R)-3-aminocyclopentane-1-carboxylic acidSMILES: C1CC(CC1C(=O)O)NInChIKey: MLLSSTJTARJLHK-CRCLSJGQSA-NInChI: InChI=1S/C6H11NO2/c7-5-2-1-4(3-5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5+/m0/s1
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