Matches any text strings used to describe a molecule.
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: CHACNMULAGKUQN (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
34451131

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43-,44+/m0/s1
C44H70O22951.0134151300
65047842

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43?,44-/m0/s1
C44H70O22951.01343200
82964515

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34-,35+,36-,37-,38-,39-,41+,42+,43?,44-/m1/s1
C44H70O22951.01342100
113608956

25 of 26 defined stereocentres - 25/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39+,41+,42+,43?,44+/m0/s1
C44H70O22951.01341100
114391427

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20-,21-,22+,23-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,41+,42+,43-,44-/m0/s1
C44H70O22951.01341100
114816158

26 of 26 defined stereocentres - 26/26 defined
InChI=1/C44H70O22/c1-17-12-43-10-6-22-41(3,8-5-9-42(22,4)40(58)65-37-32(56)29(53)25(49)19(13-45)60-37)23(43)7-11-44(17,16-43)66-38-33(57)34(27(51)21(15-47)61-38)63-39-35(30(54)26(50)20(14-46)62-39)64-36-31(55)28(52)24(48)18(2)59-36/h18-39,45-57H,1,5-16H2,2-4H3/t18-,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33-,34-,35+,36-,37-,38-,39+,41+,42+,43+,44+/m0/s1
C44H70O22951.01341100

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