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
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Found 4 results

Search term: C49H80O22 (Found by molecular formula)
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8757265

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C49H80O22/c1-44(2)14-21-20-8-9-25-45(3)12-11-27(46(4,18-52)24(45)10-13-47(25,5)48(20,6)15-26(54)49(21,19-53)39(63)38(44)62)68-43-36(70-42-33(60)31(58)29(56)23(17-51)67-42)34(61)35(37(71-43)40(64)65-7)69-41-32(59)30(57)28(55)22(16-50)66-41/h8,21-39,41-43,50-63H,9-19H2,1-7H3/t21-,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36+,37-,38-,39-,41-,42-,43+,45-,46+,47+,48+,49-/m0/s1
C49H80O221021.14632100
9258771

27 of 27 defined stereocentres - 27/27 defined
InChI=1/C49H80O22/c1-20(2)6-9-27(51)21(3)49(63)32(70-45-41(62)42(29(53)18-65-45)71-44-38(59)33(54)28(52)17-64-44)15-26-24-8-7-22-14-23(10-12-47(22,4)25(24)11-13-48(26,49)5)67-46-40(61)37(58)35(56)31(69-46)19-66-43-39(60)36(57)34(55)30(16-50)68-43/h7,20-21,23-26,28-46,50,52-63H,6,8-19H2,1-5H3/t21-,23+,24-,25+,26+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+,43-,44+,45+,46-,47+,48+,49-/m1/s1
C49H80O221021.14632100
10142630

19 of 31 defined stereocentres - 19/31 defined
InChI=1/C49H80O22/c1-19-7-12-49(63-17-19)20(2)30-26(71-49)14-25-23-6-5-21-13-22(8-10-47(21,3)24(23)9-11-48(25,30)4)64-46-41(36(57)32(53)28(16-51)66-46)68-42-37(58)33(54)29(18-62-42)67-44-39(60)35(56)40(61)45(70-44)69-43-38(59)34(55)31(52)27(15-50)65-43/h19-46,50-61H,5-18H2,1-4H3/t19?,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-,45+,46-,47?,48?,49?/m1/s1
C49H80O221021.14632200
28637899

30 of 30 defined stereocentres - 30/30 defined
InChI=1/C49H80O22/c1-19(16-63-43-39(60)37(58)35(56)30(15-50)67-43)8-11-49(62)20(2)32-29(71-49)14-26-24-7-6-22-12-23(51)13-31(48(22,5)25(24)9-10-47(26,32)4)68-46-42(70-45-40(61)36(57)33(54)21(3)66-45)41(28(53)18-65-46)69-44-38(59)34(55)27(52)17-64-44/h6,19-21,23-46,50-62H,7-18H2,1-5H3/t19-,20+,21+,23-,24-,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-/m1/s1
C49H80O221021.14631100

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