小分子和化合物库
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4-氯-2-甲氧基苯酚CAS号: 16766-30-6分子式: C7H7ClO2 分子量: 158.58IUPAC Name: 4-chloro-2-methoxyphenolSMILES: COC1=C(C=CC(=C1)Cl)OInChIKey: FVZQMMMRFNURSH-UHFFFAOYSA-NInChI: 1S/C7H7ClO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
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雪松醇CAS号: 77-53-2分子式: C15H26O 分子量: 222.37IUPAC Name: (1S,2R,5S,7R,8R)-2,6,6,8-tetramethyltricyclo[5.3.1.01,5]undecan-8-olSMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)OInChIKey: SVURIXNDRWRAFU-OGMFBOKVSA-NInChI: 1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
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2-十二醇CAS号: 10203-28-8分子式: C12H26O 分子量: 186.34IUPAC Name: dodecan-2-olSMILES: CCCCCCCCCCC(C)OInChIKey: XSWSEQPWKOWORN-UHFFFAOYSA-NInChI: 1S/C12H26O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12-13H,3-11H2,1-2H3
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1,10-二碘癸烷CAS号: 16355-92-3分子式: C10H20I2 分子量: 394.08IUPAC Name: 1,10-diiododecaneSMILES: C(CCCCCI)CCCCIInChIKey: CKJCTZAIDVFHCX-UHFFFAOYSA-NInChI: 1S/C10H20I2/c11-9-7-5-3-1-2-4-6-8-10-12/h1-10H2
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4,5-二氯-2-正辛基-4-异噻唑啉-3-酮(DCOIT)CAS号: 64359-81-5分子式: C11H17Cl2NOS 分子量: 282.22IUPAC Name: 4,5-dichloro-2-octyl-1,2-thiazol-3-oneSMILES: CCCCCCCCN1C(=O)C(=C(S1)Cl)ClInChIKey: PORQOHRXAJJKGK-UHFFFAOYSA-NInChI: 1S/C11H17Cl2NOS/c1-2-3-4-5-6-7-8-14-11(15)9(12)10(13)16-14/h2-8H2,1H3
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3',5'-二羟基苯乙酮CAS号: 51863-60-6分子式: C8H8O3 分子量: 152.15IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanoneSMILES: CC(=O)C1=CC(=CC(=C1)O)OInChIKey: WQXWIKCZNIGMAP-UHFFFAOYSA-NInChI: 1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
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2-乙基-6-甲基苯酚CAS号: 1687-64-5分子式: C9H12O 分子量: 136.19IUPAC Name: 2-ethyl-6-methylphenolSMILES: CCC1=CC=CC(=C1O)CInChIKey: CIRRFAQIWQFQSS-UHFFFAOYSA-NInChI: 1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
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3-(2-乙基己氧基)-1,2-丙二醇CAS号: 70445-33-9分子式: C11H24O3 分子量: 204.31IUPAC Name: 3-(2-ethylhexoxy)propane-1,2-diolSMILES: CCCCC(CC)COCC(CO)OInChIKey: NCZPCONIKBICGS-UHFFFAOYSA-NInChI: 1S/C11H24O3/c1-3-5-6-10(4-2)8-14-9-11(13)7-12/h10-13H,3-9H2,1-2H3
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