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Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 6 results

Search term: 37339-90-5 (Found by synonym)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
110193

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C13H21NO3.ClH/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15;/h4-6,12,14-17H,7-8H2,1-3H3;1H/t12-;/m0./s1
C13H22ClNO3275.7717707200
34598

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)32(28(61)36(65)68-13)75-40-29(62)33(18(51)11(4-46)72-40)77-41-30(63)34(19(52)12(5-47)73-41)78-42-31(64)35(76-39-27(60)24(57)17(50)10(3-45)71-39)21(54)14(74-42)7-67-38-26(59)23(56)16(49)9(2-44)70-38/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+/m1/s1
C42H72O361152.9995181600
8411033

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)34(76-39-27(60)24(57)17(50)10(3-45)71-39)30(63)42(74-13)77-33-19(52)12(5-47)72-40(29(33)62)78-35-21(54)14(7-67-38-26(59)23(56)16(49)9(2-44)70-38)73-41(31(35)64)75-32-18(51)11(4-46)68-36(65)28(32)61/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+/m1/s1
C42H72O361152.99953500
30783467

28 of 35 defined stereocentres - 28/35 defined
InChI=1/C44H76O35/c1-10-18(50)35(22(54)13(5-47)69-10)76-43-32(64)38(25(57)16(74-43)8-67-39-28(60)26(58)19(51)11(3-45)70-39)79-42-31(63)36(23(55)15(7-49)73-42)77-44-33(65)37(78-41-30(62)34(66-2)21(53)14(6-48)72-41)24(56)17(75-44)9-68-40-29(61)27(59)20(52)12(4-46)71-40/h10-65H,3-9H2,1-2H3/t10?,11-,12+,13+,14-,15-,16-,17-,18-,19-,20+,21-,22+,23-,24-,25-,26+,27-,28-,29+,30-,31-,32-,33-,34+,35?,36?,37?,38?,39?,40?,41+,42+,43+,44+/m1/s1
C44H76O351165.05322200
73987952

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)32(28(61)36(65)68-13)75-40-29(62)33(18(51)11(4-46)72-40)77-41-30(63)34(19(52)12(5-47)73-41)78-42-31(64)35(76-39-27(60)24(57)17(50)10(3-45)71-39)21(54)14(74-42)7-67-38-26(59)23(56)16(49)9(2-44)70-38/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13+,14-,15+,16+,17-,18-,19+,20-,21-,22-,23+,24+,25+,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37+,38+,39-,40-,41-,42-/m1/s1
C42H72O361152.99952200
88297967

35 of 35 defined stereocentres - 35/35 defined
InChI=1/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)32(28(61)36(65)68-13)75-40-29(62)33(18(51)11(4-46)72-40)77-41-30(63)34(19(52)12(5-47)73-41)78-42-31(64)35(76-39-27(60)24(57)17(50)10(3-45)71-39)21(54)14(74-42)7-67-38-26(59)23(56)16(49)9(2-44)70-38/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42+/m1/s1
C42H72O361152.99952100

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